Glycoside
...
GD117680

Name:
3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(2-methylbutanoyl)oxy]-10-[(3-phenylprop-2-enoyl)oxy]-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-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C61H90O23

Smiles:
CCC(C)C(=O)OC1C(OC(=O)C=Cc2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO

Aglycone:
CCC(C)C(=O)OC1C(OC(=O)C=Cc2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO

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

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 12 FractionCSP3: 0.79
AlogP: 1.09 Num_rotatable_bonds: 16
MolWt: 1191.37 Num_heavy_atoms: 84
TPSA: 367.81 NumAromaticRings: 1

Unique Aglycone
AD04974
Formula: C44H64O8

Smiles:
CCC(C)C(=O)OC1C(OC(=O)C=Cc2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO
HBA: 8 RingCount: 6
HBD: 4 FractionCSP3: 0.73
AlogP: 6.89 Num_rotatable_bonds: 7
MolWt: 720.99 Num_heavy_atoms: 52
TPSA: 133.52 NumAromaticRings: 1

Sugarmoiety
SD05101

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