Glycoside
...
GD131522

Name:
Perennisaponin C

Formula:
C65H104O28

Smiles:
CC(O)CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1O

Aglycone:
CC(O)CC(=O)OC(C)CC(=O)OC(C)CC(=O)O.CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 13 FractionCSP3: 0.91
AlogP: -0.43 Num_rotatable_bonds: 18
MolWt: 1333.52 Num_heavy_atoms: 93
TPSA: 432.8 NumAromaticRings: 0

Unique Aglycone
AD10010
Formula: C30H48O6

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.15 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0
AD49770
Formula: C12H20O7

Smiles:
CC(O)CC(=O)OC(C)CC(=O)OC(C)CC(=O)O
HBA: 7 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: 0.49 Num_rotatable_bonds: 8
MolWt: 276.28 Num_heavy_atoms: 19
TPSA: 110.13 NumAromaticRings: 0

Sugarmoiety
SD06980

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O