Glycoside
GD018224
Name:
NoneFormula:
C18H25O11N3P2Smiles:
Cc1ccc(CON=c2ccn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]3O)c(=O)[nH]2)cc1Aglycone:
COP(=O)(O)CP(=O)(O)O.Cc1ccc(CON=c2cc[nH]c(=O)[nH]2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 521.36 | Num_heavy_atoms: | 34 |
| TPSA: | 213.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD12897
Formula: C12H13O2N3
Smiles:
Cc1ccc(CON=c2cc[nH]c(=O)[nH]2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.26 | Num_heavy_atoms: | 17 |
| TPSA: | 70.24 | NumAromaticRings: | 2 |
