Glycoside
GD101504
Name:
NoneFormula:
C20H29O10N2ClSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC2CC(Cl)CCN2O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC1CC(Cl)CCN1OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.9 | Num_heavy_atoms: | 32 |
| TPSA: | 149.93 | 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 |
AD25661
Formula: C6H11ON2Cl
Smiles:
NC1CC(Cl)CCN1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.61 | Num_heavy_atoms: | 9 |
| TPSA: | 49.49 | NumAromaticRings: | 0 |
