Glycoside
...
GD136177

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

Formula:
C89H142O47

Smiles:
C=CC(C)(CCC=C(C)C(=O)OC1C(O)C(COC2OC(CO)C(O)C(O)C2O)OC(OC(=O)C23CC(O)C(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3O)C1OC1OCC(OC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C1O)OC1OC(CO)C(O)C(O)C1O

Aglycone:
C=CC(C)(O)CCC=C(C)C(=O)O.CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1O

Sugarmoiety:
OC1COC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(OC3OCC(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 47 RingCount: 14
HBD: 26 FractionCSP3: 0.91
AlogP: -9.56 Num_rotatable_bonds: 28
MolWt: 1964.07 Num_heavy_atoms: 136
TPSA: 735.49 NumAromaticRings: 0

Unique Aglycone
AD00796
Formula: C30H48O5

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1O
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 1
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0
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

Sugarmoiety
SD08019

OC1COC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(OC3OCC(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O