Glycoside
GD030794
Name:
NoneFormula:
C21H26O8N4Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn([C@H](Cc3cc4ccccc4[nH]3)C(=O)O)nn2)[C@H]1OAglycone:
O=C(O)C(Cc1cc2ccccc2[nH]1)n1cc(CO)nn1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.46 | Num_heavy_atoms: | 33 |
| TPSA: | 172.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD19919
Formula: C14H14O3N4
Smiles:
O=C(O)C(Cc1cc2ccccc2[nH]1)n1cc(CO)nn1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 286.29 | Num_heavy_atoms: | 21 |
| TPSA: | 104.03 | NumAromaticRings: | 3 |
