Glycoside
GD124534
Name:
[2-({6-[(acetyloxy)methyl]-4,5-dihydroxy-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl}oxy)phenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylateFormula:
C31H32O13Smiles:
CC(=O)OCC1OC(Oc2ccccc2COC(=O)C2(O)C=CCCC2=O)C(OC(=O)C=Cc2ccc(O)cc2)C(O)C1OAglycone:
COC(C)=O.O=C(O)C=Cc1ccc(O)cc1.O=C1CCC=CC1(O)C(=O)OCc1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 612.58 | Num_heavy_atoms: | 44 |
| TPSA: | 195.35 | 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 |
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD07841
Formula: C14H14O5
Smiles:
O=C1CCC=CC1(O)C(=O)OCc1ccccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
