Glycoside
GD114632
Name:
Yunngnoside AFormula:
C22H26O11Smiles:
CC(=O)OCC1OC(OC(C)(C)C2Oc3ccc4ccc(=O)oc4c3C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1Oc2ccc3ccc(=O)oc3c2C1O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 165.12 | 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 |
AD13820
Formula: C14H14O5
Smiles:
CC(C)(O)C1Oc2ccc3ccc(=O)oc3c2C1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
