Glycoside
GD084606
Name:
NoneFormula:
C19H20O8N2Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(-c2ccc3c(c2)OCO3)cn1Aglycone:
NC(=O)c1ccc(-c2ccc3c(c2)OCO3)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.38 | Num_heavy_atoms: | 29 |
| TPSA: | 150.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD37810
Formula: C13H10O3N2
Smiles:
NC(=O)c1ccc(-c2ccc3c(c2)OCO3)cn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.23 | Num_heavy_atoms: | 18 |
| TPSA: | 74.44 | NumAromaticRings: | 2 |
