Glycoside
GD025001
Name:
NoneFormula:
C37H34O9N6Smiles:
COc1ccc(C(OCC2OC(n3cnc4c(=O)n(Cc5ccccc5[N+](=O)[O-])nnc43)C(O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.O=c1c2c(nnn1Cc1ccccc1[N+](=O)[O-])[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 12 |
| MolWt: | 706.71 | Num_heavy_atoms: | 52 |
| TPSA: | 186.12 | NumAromaticRings: | 6 |
Unique Aglycone
AD07921
Formula: C22H22O3
Smiles:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.42 | Num_heavy_atoms: | 25 |
| TPSA: | 27.69 | NumAromaticRings: | 3 |
AD16626
Formula: C11H7O3N6
Smiles:
O=c1c2c(nnn1Cc1ccccc1[N+](=O)[O-])[N]C=N2| HBA: | 9 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 271.22 | Num_heavy_atoms: | 20 |
| TPSA: | 117.38 | NumAromaticRings: | 2 |
