Glycoside
GD006845
Name:
NoneFormula:
C31H31O8N4PSSmiles:
C[C@H](NP(=O)(OC[C@@H]1O[C@H](n2ccc3c(-c4cccs4)ncnc32)[C@H](O)[C@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1Aglycone:
C1=Cc2c(ncnc2-c2cccs2)[N]1.COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 650.65 | Num_heavy_atoms: | 45 |
| TPSA: | 154.26 | NumAromaticRings: | 5 |
Unique Aglycone
AD00513
Formula: C10H6N3S
Smiles:
C1=Cc2c(ncnc2-c2cccs2)[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.25 | Num_heavy_atoms: | 14 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
AD01778
Formula: C17H20O5NP
Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccccc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 349.32 | Num_heavy_atoms: | 24 |
| TPSA: | 73.86 | NumAromaticRings: | 2 |
