Glycoside
GD082414
Name:
NoneFormula:
C18H32O6N5Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(C3(C)CC[NH2+]CC3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC1(c2cn(CCO)nn2)CC[NH2+]CC1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 414.48 | Num_heavy_atoms: | 29 |
| TPSA: | 155.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD37038
Formula: C10H19ON4
Smiles:
CC1(c2cn(CCO)nn2)CC[NH2+]CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 211.29 | Num_heavy_atoms: | 15 |
| TPSA: | 67.55 | NumAromaticRings: | 1 |
