Glycoside
GD013258
Name:
NoneFormula:
C27H29O13N2P3Cl2SSmiles:
Cc1ccc(C(c2ccc(C)cc2)c2cn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@H]3O)c(=O)[nH]c2=S)cc1Aglycone:
COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O.Cc1ccc(C(c2ccc(C)cc2)c2c[nH]c(=O)[nH]c2=S)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 761.4 | Num_heavy_atoms: | 46 |
| TPSA: | 238.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD00072
Formula: C4H7O9P3Cl2
Smiles:
COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.9 | Num_heavy_atoms: | 16 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
AD09917
Formula: C19H18ON2S
Smiles:
Cc1ccc(C(c2ccc(C)cc2)c2c[nH]c(=O)[nH]c2=S)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.16 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.43 | Num_heavy_atoms: | 23 |
| TPSA: | 48.65 | NumAromaticRings: | 3 |
