Glycoside
GD132922
Name:
hydroxy(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 16-(acetyloxy)-10-hydroxy-2-(hydroxymethyl)-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-1(20)-ene-17-carboxylateFormula:
C38H54O15Smiles:
CC(=O)OC1CCC2(C)C3CC(O)C4(C)C5C(CC4(CO)C3=CCC2C1(C)C(=O)OC(O)C1OC(O)C(O)C(O)C1O)OC(=O)C5CC(=O)C=C(C)CAglycone:
CC(=O)OC1CCC2(C)C3CC(O)C4(C)C5C(CC4(CO)C3=CCC2C1(C)C(=O)OCO)OC(=O)C5CC(=O)C=C(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 750.84 | Num_heavy_atoms: | 53 |
| TPSA: | 246.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD53814
Formula: C33H46O10
Smiles:
CC(=O)OC1CCC2(C)C3CC(O)C4(C)C5C(CC4(CO)C3=CCC2C1(C)C(=O)OCO)OC(=O)C5CC(=O)C=C(C)C| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 602.72 | Num_heavy_atoms: | 43 |
| TPSA: | 156.66 | NumAromaticRings: | 0 |
