Glycoside
GD033667
Name:
NoneFormula:
C13H24O15N3P3Smiles:
CC(C)(C)ON=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CC(C)(C)ON=c1cc[nH]c(=O)[nH]1.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 555.26 | Num_heavy_atoms: | 34 |
| TPSA: | 268.89 | NumAromaticRings: | 1 |
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 |
AD15782
Formula: C8H13O2N3
Smiles:
CC(C)(C)ON=c1cc[nH]c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 183.21 | Num_heavy_atoms: | 13 |
| TPSA: | 70.24 | NumAromaticRings: | 1 |
