Glycoside
GD105922
Name:
NoneFormula:
C12H26O15N3P3Smiles:
N/C=C/Cc1cn([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O.NC=CCc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.5 |
| AlogP: | -4.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 545.27 | Num_heavy_atoms: | 33 |
| TPSA: | 299.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD40420
Formula: CH13O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 278.03 | Num_heavy_atoms: | 14 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
AD44090
Formula: C7H9O2N3
Smiles:
NC=CCc1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.17 | Num_heavy_atoms: | 12 |
| TPSA: | 91.74 | NumAromaticRings: | 1 |
