Glycoside
...
GD143957

Name:
4-{[5-({4-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-methyloxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl 10-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-11-hydroxy-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:
C74H120O39

Smiles:
CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3)C(O)C(OC2OCC(OC3OC(C)C(O)C(OC4OCC(OC5OC(CO)C(OC6OCC(O)C(O)C6O)C(O)C5O)C(O)C4O)C3O)C(O)C2O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(O)C(O)C(OC2OCC(OC3OC(C)C(O)C(OC4OCC(OC5OC(CO)C(OC6OCC(O)C(O)C6O)C(O)C5O)C(O)C4O)C3O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 39 RingCount: 13
HBD: 22 FractionCSP3: 0.96
AlogP: -8.18 Num_rotatable_bonds: 19
MolWt: 1633.74 Num_heavy_atoms: 113
TPSA: 609.81 NumAromaticRings: 0

Unique Aglycone
AD00478
Formula: C30H48O5

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 2
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD09028

CC1OC(O)C(O)C(OC2OCC(OC3OC(C)C(O)C(OC4OCC(OC5OC(CO)C(OC6OCC(O)C(O)C6O)C(O)C5O)C(O)C4O)C3O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1O