Glycoside
GD060090
Name:
NoneFormula:
C14H21O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)Nc2ccccn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)Nc1ccccn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 327.34 | Num_heavy_atoms: | 23 |
| TPSA: | 133.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD29694
Formula: C8H11O2N3
Smiles:
O=C(NCCO)Nc1ccccn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.2 | Num_heavy_atoms: | 13 |
| TPSA: | 74.25 | NumAromaticRings: | 1 |
