Glycoside
GD150873
Name:
NoneFormula:
C20H26O11Smiles:
COc1cc(C=CC(=O)OCC2OC(OC(C)(C)C(=O)O)C(O)C(O)C2O)ccc1OAglycone:
CC(C)(O)C(=O)O.COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 442.42 | Num_heavy_atoms: | 31 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD11383
Formula: C4H8O3
Smiles:
CC(C)(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
