Glycoside
GD030477
Name:
NoneFormula:
C34H45O12N5Smiles:
N[C@H]1C[C@@H](N)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](N)[C@@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=O)c1cc(-c2ccccc2)nc2ccccc12.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.53 |
| AlogP: | -3.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 715.76 | Num_heavy_atoms: | 51 |
| TPSA: | 298.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD12532
Formula: C17H14ON2
Smiles:
CNC(=O)c1cc(-c2ccccc2)nc2ccccc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.31 | Num_heavy_atoms: | 20 |
| TPSA: | 41.99 | NumAromaticRings: | 3 |
