Glycoside
GD150533
Name:
4,5-dihydroxy-6-{[2-hydroxy-2-(3-hydroxybut-1-en-1-yl)-1,3,3-trimethylcyclohexyl]oxy}-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C28H40O10Smiles:
CC(O)C=CC1(O)C(C)(C)CCCC1(C)OC1OC(CO)C(OC(=O)C=Cc2ccc(O)cc2)C(O)C1OAglycone:
CC(O)C=CC1(O)C(C)(C)CCCC1(C)O.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.62 | Num_heavy_atoms: | 38 |
| TPSA: | 166.14 | 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 |
AD51368
Formula: C13H24O3
Smiles:
CC(O)C=CC1(O)C(C)(C)CCCC1(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.33 | Num_heavy_atoms: | 16 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
