Glycoside
GD005233
Name:
NoneFormula:
C16H23O17N3P2Smiles:
O=C1N[C@@H]2[C@H](O1)[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O[C@H]2n1ccc(=O)[nH]c1=OAglycone:
O=C1NC2C(O1)C(COP(=O)(O)OP(=O)(O)O)OC2n1ccc(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | -4.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 591.31 | Num_heavy_atoms: | 38 |
| TPSA: | 294.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD04474
Formula: C10H13O12N3P2
Smiles:
O=C1NC2C(O1)C(COP(=O)(O)OP(=O)(O)O)OC2n1ccc(=O)[nH]c1=O| HBA: | 15 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.17 | Num_heavy_atoms: | 27 |
| TPSA: | 215.71 | NumAromaticRings: | 1 |
