Glycoside
GD123801
Name:
[4-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)phenyl]methyl 3,4-dihydroxybenzoateFormula:
C22H24O11Smiles:
CC(=O)OCC1OC(Oc2ccc(COC(=O)c3ccc(O)c(O)c3)cc2)C(O)C(O)C1OAglycone:
COC(C)=O.O=C(OCc1ccc(O)cc1)c1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 172.21 | 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 |
AD49980
Formula: C14H12O5
Smiles:
O=C(OCc1ccc(O)cc1)c1ccc(O)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
