Glycoside
GD003456
Name:
NoneFormula:
C21H34O13N4Smiles:
NCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C(Cc1c[nH]cn1)NC(=O)CCNSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.76 |
| AlogP: | -6.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 550.52 | Num_heavy_atoms: | 38 |
| TPSA: | 279.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD03146
Formula: C10H16O3N4
Smiles:
COC(=O)C(Cc1c[nH]cn1)NC(=O)CCN| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 240.26 | Num_heavy_atoms: | 17 |
| TPSA: | 110.1 | NumAromaticRings: | 1 |
