Glycoside
...
GD148979

Name:
10-({2-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-hydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]cyclohexyl}oxy)-11-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-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:
C53H84O21

Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6CC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C

Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6CC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C

Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 13 FractionCSP3: 0.91
AlogP: -0.78 Num_rotatable_bonds: 11
MolWt: 1057.23 Num_heavy_atoms: 74
TPSA: 344.67 NumAromaticRings: 0

Unique Aglycone
AD54197
Formula: C37H58O8

Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6CC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
HBA: 8 RingCount: 6
HBD: 6 FractionCSP3: 0.86
AlogP: 4.47 Num_rotatable_bonds: 4
MolWt: 630.86 Num_heavy_atoms: 45
TPSA: 147.68 NumAromaticRings: 0

Sugarmoiety
SD09617

OC1COC(O)C(O)C1O.OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O