Glycoside
GD030133
Name:
NoneFormula:
C18H17O7N3Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1-c1cc(-c2ccccc2)on1Aglycone:
O=c1[nH]cc(-c2cc(-c3ccccc3)on2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 387.35 | Num_heavy_atoms: | 28 |
| TPSA: | 150.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD14537
Formula: C13H9O3N3
Smiles:
O=c1[nH]cc(-c2cc(-c3ccccc3)on2)c(=O)[nH]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 255.23 | Num_heavy_atoms: | 19 |
| TPSA: | 91.75 | NumAromaticRings: | 3 |
