Glycoside
GD013797
Name:
NoneFormula:
C21H20O6N2Smiles:
OC[C@@H]1O[C@H](Oc2c3c4c(ccnc4c4ccccc24)C=CN3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1c2c3c(ccnc3c3ccccc13)C=CN2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 396.4 | Num_heavy_atoms: | 29 |
| TPSA: | 124.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD10240
Formula: C15H10ON2
Smiles:
Oc1c2c3c(ccnc3c3ccccc13)C=CN2| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 234.26 | Num_heavy_atoms: | 18 |
| TPSA: | 45.15 | NumAromaticRings: | 3 |
