Glycoside
GD009720
Name:
NoneFormula:
C20H24O18N2P2SSmiles:
O=Cc1ccc(-c2cn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(=O)[nH]c2=O)s1Aglycone:
COP(=O)([O-])OP(=O)([O-])O.O=Cc1ccc(-c2c[nH]c(=O)[nH]c2=O)s1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -4.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 674.42 | Num_heavy_atoms: | 43 |
| TPSA: | 319.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD00984
Formula: CH4O7P2
Smiles:
COP(=O)([O-])OP(=O)([O-])O| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.98 | Num_heavy_atoms: | 10 |
| TPSA: | 118.95 | NumAromaticRings: | 0 |
AD07598
Formula: C9H6O3N2S
Smiles:
O=Cc1ccc(-c2c[nH]c(=O)[nH]c2=O)s1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 222.22 | Num_heavy_atoms: | 15 |
| TPSA: | 82.79 | NumAromaticRings: | 2 |
