Glycoside
GD033700
Name:
NoneFormula:
C20H23O8N5Smiles:
COc1nc(ONC(=O)OCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@]1(C)OAglycone:
COc1nc(ONC(=O)OCc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.43 | Num_heavy_atoms: | 33 |
| TPSA: | 170.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD16673
Formula: C14H12O4N5
Smiles:
COc1nc(ONC(=O)OCc2ccccc2)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.28 | Num_heavy_atoms: | 23 |
| TPSA: | 109.03 | NumAromaticRings: | 2 |
