Glycoside
GD136968
Name:
3-(5-hydroxy-4-methylpent-3-en-1-yl)-2,3,9-trimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,4H-furo[3,2-c]chromen-4-oneFormula:
C26H34O10Smiles:
CC(=CCCC1(C)c2c(c3c(C)cc(OC4OC(CO)C(O)C(O)C4O)cc3oc2=O)OC1C)COAglycone:
CC(=CCCC1(C)c2c(c3c(C)cc(O)cc3oc2=O)OC1C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 506.55 | Num_heavy_atoms: | 36 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD55352
Formula: C20H24O5
Smiles:
CC(=CCCC1(C)c2c(c3c(C)cc(O)cc3oc2=O)OC1C)CO| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.41 | Num_heavy_atoms: | 25 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
