Glycoside
GD133847
Name:
5-hydroxy-6-(2-phenylethoxy)-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C35H46O18Smiles:
CC1OC(OC2C(O)C(OCCc3ccccc3)OC(COC3OC(CO)C(O)C(O)C3O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCCc1ccccc1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(COC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 13 |
| MolWt: | 754.74 | Num_heavy_atoms: | 53 |
| TPSA: | 283.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00027
Formula: C8H10O
Smiles:
OCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
