Glycoside
GD013925
Name:
NoneFormula:
C24H27O14N3Smiles:
COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(OC(C)=O)cc(=O)oc2n1Aglycone:
COC(C)=O.COc1nc(N)c2c(OC(C)=O)cc(=O)oc2n1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 581.49 | Num_heavy_atoms: | 41 |
| TPSA: | 217.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD10321
Formula: C10H9O5N3
Smiles:
COc1nc(N)c2c(OC(C)=O)cc(=O)oc2n1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.2 | Num_heavy_atoms: | 18 |
| TPSA: | 117.54 | NumAromaticRings: | 2 |
