Glycoside
GD066390
Name:
NoneFormula:
C14H21O8N3Smiles:
COC(=O)[C@H](Cc1cncn1C)NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
COC(=O)C(N)Cc1cncn1CSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -3.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 359.34 | Num_heavy_atoms: | 25 |
| TPSA: | 171.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD31803
Formula: C8H13O2N3
Smiles:
COC(=O)C(N)Cc1cncn1C| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 183.21 | Num_heavy_atoms: | 13 |
| TPSA: | 70.14 | NumAromaticRings: | 1 |
