Glycoside
GD099216
Name:
NoneFormula:
C22H22O6N8Smiles:
O=C(/C(O)=C(/CNNc1nc2ccccc2c(=O)[nH]1)NNc1nc2ccccc2c(=O)[nH]1)[C@H](O)COAglycone:
O=c1[nH]c(NNCCNNc2nc3ccccc3c(=O)[nH]2)nc2ccccc12Sugarmoiety:
O=C(O)C(=O)C(O)COOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.14 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 494.47 | Num_heavy_atoms: | 36 |
| TPSA: | 217.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD42210
Formula: C18H18O2N8
Smiles:
O=c1[nH]c(NNCCNNc2nc3ccccc3c(=O)[nH]2)nc2ccccc12| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.11 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 378.4 | Num_heavy_atoms: | 28 |
| TPSA: | 139.62 | NumAromaticRings: | 4 |
