Glycoside
GD023563
Name:
NoneFormula:
C17H26O16N2P2Smiles:
O=c1ccn([C@@H]2[C@H](O)[C@H](O)[C@]3(COP(=O)(O)OP(=O)(O)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C[C@H]23)c(=O)[nH]1Aglycone:
O=c1ccn(C2C(O)C(O)C3(COP(=O)(O)OP(=O)(O)O)CC23)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | -4.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.34 | Num_heavy_atoms: | 37 |
| TPSA: | 287.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD15835
Formula: C11H16O11N2P2
Smiles:
O=c1ccn(C2C(O)C(O)C3(COP(=O)(O)OP(=O)(O)O)CC23)c(=O)[nH]1| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.2 | Num_heavy_atoms: | 26 |
| TPSA: | 208.61 | NumAromaticRings: | 1 |
