Glycoside
...
GD128235

Name:
4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-{[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(2-methylbut-2-enoyl)oxy]-9-[(2-methylbutanoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C56H88O22

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 11 FractionCSP3: 0.88
AlogP: 0.98 Num_rotatable_bonds: 15
MolWt: 1113.3 Num_heavy_atoms: 78
TPSA: 347.58 NumAromaticRings: 0

Unique Aglycone
AD09426
Formula: C40H64O8

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.85
AlogP: 6.14 Num_rotatable_bonds: 7
MolWt: 672.94 Num_heavy_atoms: 48
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD06526

O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C1O