Glycoside
GD123105
Name:
6-(5,5-dimethyloxolan-2-yl)-5,10-dihydroxy-2,6,13,17,17-pentamethyl-8-oxo-16-[(3,4,5-trihydroxyoxan-2-yl)oxy]-7-oxapentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icos-11-en-4-yl acetateFormula:
C37H56O12Smiles:
CC(=O)OC1CC2(C)C3CCC4C(C)(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3=CC(O)C23C(=O)OC(C)(C2CCC(C)(C)O2)C13OAglycone:
CC(=O)OC1CC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CC(O)C23C(=O)OC(C)(C2CCC(C)(C)O2)C13OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 692.84 | Num_heavy_atoms: | 49 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD49655
Formula: C32H48O8
Smiles:
CC(=O)OC1CC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CC(O)C23C(=O)OC(C)(C2CCC(C)(C)O2)C13O| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 560.73 | Num_heavy_atoms: | 40 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
