Glycoside
GD075431
Name:
NoneFormula:
C16H20O7N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2n[nH]c(=O)c3ncccc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1n[nH]c(=O)c2ncccc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 380.36 | Num_heavy_atoms: | 27 |
| TPSA: | 166.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD34943
Formula: C10H10O3N4
Smiles:
O=C(NCCO)c1n[nH]c(=O)c2ncccc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.22 | Num_heavy_atoms: | 17 |
| TPSA: | 107.97 | NumAromaticRings: | 2 |