Glycoside
...
GD130557

Name:
Achyranthoside B

Formula:
C47H70O20

Smiles:
CC1(C)CC(C(=O)OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 9 FractionCSP3: 0.87
AlogP: 1.53 Num_rotatable_bonds: 10
MolWt: 955.06 Num_heavy_atoms: 67
TPSA: 314.96 NumAromaticRings: 0

Unique Aglycone
AD52910
Formula: C41H60O15

Smiles:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(C)C5CCC43C)C2C1
HBA: 15 RingCount: 7
HBD: 6 FractionCSP3: 0.85
AlogP: 4.27 Num_rotatable_bonds: 8
MolWt: 792.92 Num_heavy_atoms: 56
TPSA: 235.81 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O