Glycoside
...
GD138238

Name:
6-({8a-[(acetyloxy)methyl]-10-(benzoyloxy)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C56H82O22

Smiles:
CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C1CC(C)(C)C(OC(=O)c1ccccc1)C2O

Aglycone:
CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(OC(=O)c1ccccc1)C2O

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

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 11 FractionCSP3: 0.8
AlogP: 0.69 Num_rotatable_bonds: 12
MolWt: 1107.25 Num_heavy_atoms: 78
TPSA: 347.58 NumAromaticRings: 1

Unique Aglycone
AD55821
Formula: C39H56O7

Smiles:
CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(OC(=O)c1ccccc1)C2O
HBA: 7 RingCount: 6
HBD: 3 FractionCSP3: 0.74
AlogP: 6.49 Num_rotatable_bonds: 4
MolWt: 636.87 Num_heavy_atoms: 46
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD00702

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