Glycoside
GD152958
Name:
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 5-[2-(furan-3-yl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C33H44O10Smiles:
CC1CC(O)C2(C)C(C(=O)OCc3ccccc3OC3OC(CO)C(O)C(O)C3O)=CCCC2C1(C)CCc1ccoc1Aglycone:
CC1CC(O)C2(C)C(C(=O)OCc3ccccc3O)=CCCC2C1(C)CCc1ccoc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 600.71 | Num_heavy_atoms: | 43 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD60858
Formula: C27H34O5
Smiles:
CC1CC(O)C2(C)C(C(=O)OCc3ccccc3O)=CCCC2C1(C)CCc1ccoc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | 5.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.56 | Num_heavy_atoms: | 32 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
