Glycoside
GD101619
Name:
NoneFormula:
C22H26O11N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc3c(c2)oc(=O)n3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Cn1c(=O)oc2cc(N)ccc21Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 161.6 | 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 |
AD28468
Formula: C8H8O2N2
Smiles:
Cn1c(=O)oc2cc(N)ccc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 61.16 | NumAromaticRings: | 2 |
