Glycoside
...
GD122691

Name:
3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl 10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-{[6-({3,4-dihydroxy-6-[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]oxan-2-yl}oxy)-2,6-dimethylocta-2,7-dienoyl]oxy}-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C99H156O49

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC(O)C(O)C(OC(C)(C=C)CCC=C(C)C(=O)OC2CC3(C(=O)OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(C)C(OC5OCC(O)C(OC6OCC(O)C(O)C6O)C5O)C(O)C4O)C(O)CC4(C)C(=CCC5C6(C)CC(O)C(OC7OC(COC8OCC(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(C)(CO)C6CCC54C)C3CC2(C)C)O1

Aglycone:
C=CC(C)(O)CCC=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2CC1(C)C

Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1CC(O)C(O)C(O)O1.OC1COC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 49 RingCount: 14
HBD: 26 FractionCSP3: 0.87
AlogP: -7.0 Num_rotatable_bonds: 33
MolWt: 2130.29 Num_heavy_atoms: 148
TPSA: 761.79 NumAromaticRings: 0

Unique Aglycone
AD01642
Formula: C10H16O3

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: 1.73 Num_rotatable_bonds: 5
MolWt: 184.23 Num_heavy_atoms: 13
TPSA: 57.53 NumAromaticRings: 0
AD15087
Formula: C40H62O9

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2CC1(C)C
HBA: 9 RingCount: 5
HBD: 6 FractionCSP3: 0.8
AlogP: 5.33 Num_rotatable_bonds: 8
MolWt: 686.93 Num_heavy_atoms: 49
TPSA: 164.75 NumAromaticRings: 0

Sugarmoiety
SD06023

CC1OC(OCC2OC(O)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1CC(O)C(O)C(O)O1.OC1COC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C1O