Glycoside
GD117617
Name:
methyl 5-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C27H32O14Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)C=Cc3ccc(O)c(OC)c3)C(O)C(O)C2O)C2C(CO)=CC(O)C12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CC(O)C12.COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 210.9 | 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 |
AD07800
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
