Glycoside
...
GD134074

Name:
10-({6-carboxy-5-hydroxy-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5-[(3-hydroxy-3-methylbutanoyl)oxy]-2,6a,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,4a-dicarboxylic acid

Formula:
C51H78O22

Smiles:
CC(C)(O)CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OCC(O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C(=O)O)CCC12C(=O)O

Aglycone:
CC(C)(O)CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C(=O)O)CCC12C(=O)O

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

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 11 FractionCSP3: 0.88
AlogP: 0.82 Num_rotatable_bonds: 12
MolWt: 1043.16 Num_heavy_atoms: 73
TPSA: 355.42 NumAromaticRings: 0

Unique Aglycone
AD54243
Formula: C35H54O8

Smiles:
CC(C)(O)CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C(=O)O)CCC12C(=O)O
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.86
AlogP: 5.98 Num_rotatable_bonds: 5
MolWt: 602.81 Num_heavy_atoms: 43
TPSA: 141.36 NumAromaticRings: 0

Sugarmoiety
SD07084

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