Glycoside
GD096361
Name:
NoneFormula:
C21H31O7N4Smiles:
CCOC(=O)[C@H]1CC[C@@](O)(CNc2[nH+]cnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1Aglycone:
CCOC(=O)C1CCC(O)(CNc2[nH+]cnc3c2C=C[N]3)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.5 | Num_heavy_atoms: | 32 |
| TPSA: | 160.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD40983
Formula: C16H22O3N4
Smiles:
CCOC(=O)C1CCC(O)(CNc2[nH+]cnc3c2C=C[N]3)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 318.38 | Num_heavy_atoms: | 23 |
| TPSA: | 99.69 | NumAromaticRings: | 1 |
