Glycoside
GD127025
Name:
8-(4-{4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-2-hydroxy-5,6-dimethyloxan-2-yl}-3-hydroxypentan-2-yl)-16-[4-(5-ethyl-2,4-dihydroxy-6-methyloxan-2-yl)-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dioneFormula:
C47H76O15Smiles:
CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(OC4CC(O)C(O)C(C)O4)C(C)C(C)O3)OC(=O)C=CC=CC2C)OC1CAglycone:
CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(O)C(C)C(C)O3)OC(=O)C=CC=CC2C)OC1CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 11 |
| MolWt: | 881.11 | Num_heavy_atoms: | 62 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD05869
Formula: C41H66O12
Smiles:
CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(O)C(C)C(C)O3)OC(=O)C=CC=CC2C)OC1C| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
