Glycoside
...
GD128950

Name:
Kahiricoside Iv

Formula:
C38H62O10

Smiles:
CC(=O)OCC1OC(OC2CCC34CC35CCC3(C)C(C(C)CCC=C(C)CO)C(O)CC3(C)C5CC(O)C4C2(C)C)C(O)C(O)C1O

Aglycone:
CC(=CCCC(C)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C)CO.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 6 FractionCSP3: 0.92
AlogP: 3.48 Num_rotatable_bonds: 9
MolWt: 678.9 Num_heavy_atoms: 48
TPSA: 166.14 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD50452
Formula: C30H50O4

Smiles:
CC(=CCCC(C)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C)CO
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 0.93
AlogP: 5.08 Num_rotatable_bonds: 5
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O