Glycoside
GD007374
Name:
NoneFormula:
C15H15O6N3Smiles:
O=c1[nH]cnc2c1c(-c1ccco1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1C(c1ccco1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.3 | Num_heavy_atoms: | 24 |
| TPSA: | 133.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD06012
Formula: C10H6O2N3
Smiles:
O=c1[nH]cnc2c1C(c1ccco1)=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.18 | Num_heavy_atoms: | 15 |
| TPSA: | 72.99 | NumAromaticRings: | 2 |
