Glycoside
GD005040
Name:
NoneFormula:
C29H33O8N3Smiles:
CN(C)CCN1C(=O)c2cccc3cc(NCc4ccccc4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(c23)C1=OAglycone:
CN(C)CCN1C(=O)c2cccc3cc(NCc4ccccc4O)cc(c23)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 551.6 | Num_heavy_atoms: | 40 |
| TPSA: | 152.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD04318
Formula: C23H23O3N3
Smiles:
CN(C)CCN1C(=O)c2cccc3cc(NCc4ccccc4O)cc(c23)C1=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 389.46 | Num_heavy_atoms: | 29 |
| TPSA: | 72.88 | NumAromaticRings: | 3 |
