Glycoside
GD129341
Name:
methyl 7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C33H42O17Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(COC(=O)C=Cc4ccc(OC)cc4)C(O)C(O)C3O)C(O)C(O)C2O)C2C(CO)=CCC12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CCC12.COC(=O)C=Cc1ccc(OC)cc1Sugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 12 |
| MolWt: | 710.68 | Num_heavy_atoms: | 50 |
| TPSA: | 249.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD01075
Formula: C11H14O5
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CCC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
AD11989
Formula: C11H12O3
Smiles:
COC(=O)C=Cc1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
