Glycoside
GD126315
Name:
Kahiricoside IiiFormula:
C38H62O10Smiles:
CC(=O)OC1C(OC2CCC34CC35CCC3(C)C(C(C)CCC=C(C)CO)C(O)CC3(C)C5CC(O)C4C2(C)C)OC(CO)C(O)C1OAglycone:
CC(=CCCC(C)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C)COSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther 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
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 |
