Glycoside
GD120971
Name:
2-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-[3-(4-hydroxyphenyl)prop-2-en-1-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C30H32O12Smiles:
OCC1OC(Oc2cc3c(c(O)c2CC=Cc2ccc(O)cc2)CC(O)C(c2ccc(O)c(O)c2)O3)C(O)C(O)C1OAglycone:
Oc1ccc(C=CCc2c(O)cc3c(c2O)CC(O)C(c2ccc(O)c(O)c2)O3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 584.57 | Num_heavy_atoms: | 42 |
| TPSA: | 209.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD48649
Formula: C24H22O7
Smiles:
Oc1ccc(C=CCc2c(O)cc3c(c2O)CC(O)C(c2ccc(O)c(O)c2)O3)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.17 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.43 | Num_heavy_atoms: | 31 |
| TPSA: | 130.61 | NumAromaticRings: | 3 |
