Glycoside
...
GD118375

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

Formula:
C52H82O24

Smiles:
CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C1CC(C)(C)C(OC(C)=O)C2O

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

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 13 FractionCSP3: 0.9
AlogP: -2.27 Num_rotatable_bonds: 13
MolWt: 1091.2 Num_heavy_atoms: 76
TPSA: 388.04 NumAromaticRings: 0

Unique Aglycone
AD47325
Formula: C34H54O8

Smiles:
CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1CC(C)(C)C(OC(C)=O)C2O
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.88
AlogP: 4.17 Num_rotatable_bonds: 4
MolWt: 590.8 Num_heavy_atoms: 42
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00892

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O