Glycoside
GD092383
Name:
NoneFormula:
C22H31O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCCCN2Cc2ccccc2C#N)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccccc1CN1CCCCC1C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 433.51 | Num_heavy_atoms: | 31 |
| TPSA: | 135.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD40306
Formula: C16H21O2N3
Smiles:
N#Cc1ccccc1CN1CCCCC1C(=O)NCCO| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 287.36 | Num_heavy_atoms: | 21 |
| TPSA: | 76.36 | NumAromaticRings: | 1 |
