Glycoside
GD003411
Name:
NoneFormula:
C15H18O8N4Smiles:
O=C(O)c1cncc(-n2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1Aglycone:
O=C(O)c1cncc(-n2cc(CO)nn2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.33 | Num_heavy_atoms: | 27 |
| TPSA: | 180.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD03105
Formula: C9H8O3N4
Smiles:
O=C(O)c1cncc(-n2cc(CO)nn2)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 220.19 | Num_heavy_atoms: | 16 |
| TPSA: | 101.13 | NumAromaticRings: | 2 |
