Glycoside
GD081171
Name:
NoneFormula:
C18H26O9N2Smiles:
COC(=O)/C=C/c1ccnc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1C(OC)OCAglycone:
COC(=O)C=Cc1ccnc(N)c1C(OC)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 414.41 | Num_heavy_atoms: | 29 |
| TPSA: | 159.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD36604
Formula: C12H16O4N2
Smiles:
COC(=O)C=Cc1ccnc(N)c1C(OC)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 252.27 | Num_heavy_atoms: | 18 |
| TPSA: | 83.67 | NumAromaticRings: | 1 |
