Glycoside
GD055670
Name:
NoneFormula:
C14H19O6N3Smiles:
O=C(NCC1(c2cnccn2)CC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
NCC1(c2cnccn2)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 325.32 | Num_heavy_atoms: | 23 |
| TPSA: | 152.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD28114
Formula: C8H11N3
Smiles:
NCC1(c2cnccn2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 149.2 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
