Glycoside
GD131861
Name:
4-({[4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}methyl)-7-hydroxy-7-(hydroxymethyl)-1-[(4-methylpent-1-en-2-yl)oxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C31H42O12Smiles:
C=C(CC(C)C)OC1OC=C(COC2COC(CO)C(O)C2O)C2CC(OC(=O)C=Cc3ccc(O)cc3)C(O)(CO)C12Aglycone:
C=C(CC(C)C)OC1OC=C(CO)C2CC(OC(=O)C=Cc3ccc(O)cc3)C(O)(CO)C12Sugarmoiety:
OCC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 12 |
| MolWt: | 606.67 | Num_heavy_atoms: | 43 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD53403
Formula: C25H32O8
Smiles:
C=C(CC(C)C)OC1OC=C(CO)C2CC(OC(=O)C=Cc3ccc(O)cc3)C(O)(CO)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 460.52 | Num_heavy_atoms: | 33 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
