Glycoside
GD005572
Name:
NoneFormula:
C22H22O6N8Smiles:
O=c1[nH]c(NN=CC(=NNc2nc3ccccc3c(=O)[nH]2)C(O)C(O)C(O)CO)nc2ccccc12Aglycone:
O=c1[nH]c(NN=CC=NNc2nc3ccccc3c(=O)[nH]2)nc2ccccc12Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.18 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 494.47 | Num_heavy_atoms: | 36 |
| TPSA: | 221.2 | NumAromaticRings: | 4 |
Unique Aglycone
AD04704
Formula: C18H14O2N8
Smiles:
O=c1[nH]c(NN=CC=NNc2nc3ccccc3c(=O)[nH]2)nc2ccccc12| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.36 | Num_heavy_atoms: | 28 |
| TPSA: | 140.28 | NumAromaticRings: | 4 |
