Glycoside
...
GD148961

Name:
Floratheasaponin H

Formula:
C62H96O27

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 12 FractionCSP3: 0.87
AlogP: -0.23 Num_rotatable_bonds: 15
MolWt: 1273.42 Num_heavy_atoms: 89
TPSA: 412.57 NumAromaticRings: 0

Unique Aglycone
AD45903
Formula: C39H60O8

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 2 FractionCSP3: 0.82
AlogP: 6.71 Num_rotatable_bonds: 5
MolWt: 656.9 Num_heavy_atoms: 47
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD05512

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O