Glycoside
GD158099
Name:
Boivinide EFormula:
C35H52O14Smiles:
CC1OC(OC2CCC3(C(=O)O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 696.79 | Num_heavy_atoms: | 49 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD02010
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
