Glycoside
GD027382
Name:
{6-[4-(3-{[6-({6-[2-(3,4-dihydroxyphenyl)ethenyl]-2-oxo-2H-pyran-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxoprop-1-en-1-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C43H42O21Smiles:
O=C(C=Cc1ccc(O[C@@H]2O[C@H](COC(=O)C=Cc3ccc(O)c(O)c3)[C@H](O)[C@H](O)[C@H]2O)c(O)c1)OC[C@@H]1O[C@H](Oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1.O=c1cc(O)cc(C=Cc2ccc(O)c(O)c2)o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.28 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 894.79 | Num_heavy_atoms: | 64 |
| TPSA: | 342.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD08709
Formula: C13H10O5
Smiles:
O=c1cc(O)cc(C=Cc2ccc(O)c(O)c2)o1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.22 | Num_heavy_atoms: | 18 |
| TPSA: | 90.9 | NumAromaticRings: | 2 |
