Glycoside
GD145968
Name:
2-(hydroxymethyl)-6-{4-[5-(3-hydroxyprop-1-en-1-yl)-7-methoxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triolFormula:
C32H42O16Smiles:
COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2COC2OC(CO)C(O)C(O)C2O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 682.67 | Num_heavy_atoms: | 48 |
| TPSA: | 246.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD04143
Formula: C20H22O6
Smiles:
COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
