Glycoside
GD151472
Name:
methyl 7-hydroxy-3-methoxy-7-methyl-1-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1H,3H,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C27H34O13Smiles:
COC(=O)C1=C2CCC(C)(O)C2C(OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)OC1OCAglycone:
COC(=O)C1=C2CCC(C)(O)C2C(O)OC1OC.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 190.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD56891
Formula: C12H18O6
Smiles:
COC(=O)C1=C2CCC(C)(O)C2C(O)OC1OC| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.27 | Num_heavy_atoms: | 18 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
