Glycoside
GD009697
Name:
NoneFormula:
C28H22O7N2Smiles:
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1c2c2ccccc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1[nH]c3ccccc3c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.21 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 498.49 | Num_heavy_atoms: | 37 |
| TPSA: | 141.25 | NumAromaticRings: | 5 |
Unique Aglycone
AD07580
Formula: C22H12O2N2
Smiles:
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1[nH]c3ccccc3c21| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 336.35 | Num_heavy_atoms: | 26 |
| TPSA: | 61.96 | NumAromaticRings: | 5 |
