Glycoside
GD020450
Name:
NoneFormula:
C12H16O15NP3Smiles:
O=c1c2ccoc2ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=c1[nH]ccc2occc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 507.17 | Num_heavy_atoms: | 31 |
| TPSA: | 244.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD14119
Formula: C7H5O2N
Smiles:
O=c1[nH]ccc2occc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.12 | Num_heavy_atoms: | 10 |
| TPSA: | 46.0 | NumAromaticRings: | 2 |
