Glycoside
...
GD128998

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

Formula:
C58H90O22

Smiles:
CCC(C)C=CC=CC(=O)OC1C(OC(C)=O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C

Aglycone:
CCC(C)C=CC=CC(=O)OC1C(OC(C)=O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 11 FractionCSP3: 0.84
AlogP: 1.54 Num_rotatable_bonds: 16
MolWt: 1139.34 Num_heavy_atoms: 80
TPSA: 347.58 NumAromaticRings: 0

Unique Aglycone
AD52254
Formula: C41H62O8

Smiles:
CCC(C)C=CC=CC(=O)OC1C(OC(C)=O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.78
AlogP: 7.43 Num_rotatable_bonds: 8
MolWt: 682.94 Num_heavy_atoms: 49
TPSA: 130.36 NumAromaticRings: 0

Sugarmoiety
SD07029

OCC1OC(OC2C(O)OC(CO)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O