Glycoside
GD011442
Name:
NoneFormula:
C16H21O4N3Smiles:
Cc1c(-c2ccccc2)nnn1CC[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCn1nnc(-c2ccccc2)c1CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 319.36 | Num_heavy_atoms: | 23 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD08752
Formula: C11H13N3
Smiles:
CCn1nnc(-c2ccccc2)c1C| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 187.25 | Num_heavy_atoms: | 14 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
