Glycoside
GD025438
Name:
NoneFormula:
C22H30O17N2P2SSmiles:
O=Cc1ccc(-c2cn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)CC[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:
CCP(=O)(O)OP(=O)(O)OC.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: | 19 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 12 |
| MolWt: | 688.49 | Num_heavy_atoms: | 44 |
| TPSA: | 304.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD01603
Formula: C3H10O6P2
Smiles:
CCP(=O)(O)OP(=O)(O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.05 | Num_heavy_atoms: | 11 |
| TPSA: | 93.06 | 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 |
