Glycoside
GD089073
Name:
NoneFormula:
C21H31O6N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccc(C(C(=O)NCCO)N2CC[NH2+]CC2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 435.5 | Num_heavy_atoms: | 31 |
| TPSA: | 151.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD38920
Formula: C15H21O2N4
Smiles:
N#Cc1ccc(C(C(=O)NCCO)N2CC[NH2+]CC2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 289.36 | Num_heavy_atoms: | 21 |
| TPSA: | 92.97 | NumAromaticRings: | 1 |
