Glycoside
GD081552
Name:
NoneFormula:
C18H22O7N4Smiles:
O=C(C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
O=c1c2ccccc2nnn1C1CCNCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.4 | Num_heavy_atoms: | 29 |
| TPSA: | 166.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD36706
Formula: C12H14ON4
Smiles:
O=c1c2ccccc2nnn1C1CCNCC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 230.27 | Num_heavy_atoms: | 17 |
| TPSA: | 59.81 | NumAromaticRings: | 2 |
