Glycoside
GD014093
Name:
NoneFormula:
C23H30O12N2Smiles:
O=c1c2ccccc2nc2n1CC[C@H]2O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1c2ccccc2nc2n1CCC2OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -3.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 526.5 | Num_heavy_atoms: | 37 |
| TPSA: | 213.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD05497
Formula: C11H10O2N2
Smiles:
O=c1c2ccccc2nc2n1CCC2O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 202.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.12 | NumAromaticRings: | 2 |
