Glycoside
GD150197
Name:
2-[4-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxyphenyl]ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C35H46O19Smiles:
CC1OC(OCC2OC(OC3C(C)OC(Oc4ccc(CCOC(=O)C=Cc5ccc(O)c(O)c5)cc4O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OCC2OC(OC3C(C)OC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.57 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 770.73 | Num_heavy_atoms: | 54 |
| TPSA: | 304.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD60013
Formula: C17H16O6
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
