Glycoside
GD003557
Name:
NoneFormula:
C11H14O8N2PClSmiles:
C[C@@H]1O[C@H](n2cc(Cl)c(=O)[nH]c2=O)[C@H](O)[C@H]1OCP(=O)(O)OAglycone:
O=P(O)(O)CO.O=c1[nH]cc(Cl)c(=O)[nH]1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.66 | Num_heavy_atoms: | 22 |
| TPSA: | 151.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD03220
Formula: CH5O4P
Smiles:
O=P(O)(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD03221
Formula: C5H3O2N2Cl
Smiles:
O=c1[nH]cc(Cl)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 146.53 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
