Glycoside
GD148387
Name:
(6-chloro-5,7-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C25H29O12ClSmiles:
O=C(C=Cc1ccc(O)cc1)OCC1(O)C(Cl)C(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
O=C(C=Cc1ccc(O)cc1)OCC1(O)C(Cl)C(O)C2C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.94 | Num_heavy_atoms: | 37 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD59381
Formula: C19H19O7Cl
Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1(O)C(Cl)C(O)C2C=COC(O)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.8 | Num_heavy_atoms: | 26 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
