Glycoside
GD088655
Name:
NoneFormula:
C18H26O10N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@H]2CNC(=O)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC1CNC(=O)C1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.41 | Num_heavy_atoms: | 30 |
| TPSA: | 155.56 | 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 |
AD38797
Formula: C4H8ON2
Smiles:
NC1CNC(=O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
