Glycoside
...
GD150721

Name:
3-[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]-10-[(5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-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:
C62H98O24

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

Aglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 13 FractionCSP3: 0.87
AlogP: 0.99 Num_rotatable_bonds: 17
MolWt: 1227.44 Num_heavy_atoms: 86
TPSA: 380.2 NumAromaticRings: 0

Unique Aglycone
AD04442
Formula: C40H62O6

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.8
AlogP: 8.42 Num_rotatable_bonds: 7
MolWt: 638.93 Num_heavy_atoms: 46
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD09826

OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O