Glycoside
GD146489
Name:
8-Beta-Acetoxyhysterone CFormula:
C20H35O6N2ClSmiles:
CC(C)(C)OC1OC(CN(C(O)=NCCCl)C2CCCCC2)C(O)C(O)C1OAglycone:
CC(C)(C)O.CN(C(O)=NCCCl)C1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.95 | Num_heavy_atoms: | 28 |
| TPSA: | 114.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD02940
Formula: C4H10O
Smiles:
CC(C)(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD58736
Formula: C11H19ON2Cl
Smiles:
CN(C(O)=NCCCl)C1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.73 | Num_heavy_atoms: | 14 |
| TPSA: | 35.83 | NumAromaticRings: | 0 |
