Glycoside
GD001946
Name:
NoneFormula:
C23H40O13N4Smiles:
CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H]4N=C(N(C)C)O[C@H]4[C@H]3CO)[C@@H](N)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1Sugarmoiety:
CC(=O)NC1C(OC2C(CO)OC(O)C(N)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.91 |
| AlogP: | -6.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 580.59 | Num_heavy_atoms: | 40 |
| TPSA: | 258.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD01895
Formula: C9H16O4N2
Smiles:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.24 | Num_heavy_atoms: | 15 |
| TPSA: | 85.52 | NumAromaticRings: | 0 |
