Glycoside
GD146467
Name:
4-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}methyl)-7-(hydroxymethyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C30H40O12Smiles:
CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2OC(=O)C=Cc2ccc(O)cc2)C2CCC(CO)C12Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CCC(CO)C12.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 592.64 | Num_heavy_atoms: | 42 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD46622
Formula: C15H24O5
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CCC(CO)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.35 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
