Glycoside
GD125342
Name:
(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4-dihydroxy-5-[(3-phenylprop-2-enoyl)oxy]oxan-2-yl)methyl 3-phenylprop-2-enoateFormula:
C39H36O13Smiles:
O=C(C=Cc1ccccc1)OCC1OC(OC2Cc3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(OC(=O)C=Cc2ccccc2)C(O)C1OAglycone:
COC(=O)C=Cc1ccccc1.O=C(O)C=Cc1ccccc1.Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 712.7 | Num_heavy_atoms: | 52 |
| TPSA: | 201.67 | NumAromaticRings: | 4 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD04299
Formula: C15H14O6
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
