Glycoside
GD020640
Name:
NoneFormula:
C33H26O8N5ClSmiles:
C[C@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(Cl)nc(NO)nc21Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.ONc1nc(Cl)c2c(n1)[N]C=N2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 644.04 | Num_heavy_atoms: | 46 |
| TPSA: | 163.99 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD14224
Formula: C6H3ON5Cl
Smiles:
ONc1nc(Cl)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.57 | Num_heavy_atoms: | 12 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
