Glycoside
GD145751
Name:
8-(1,2-dihydroxy-2-methylpropyl)-10-hydroxy-4,6,12,17,17-pentamethyl-11-oxo-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docos-13-en-3-yl acetateFormula:
C37H56O12Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C2(C)C(=O)C3(O)OC(C(O)C(C)(C)O)CC(C)C3C12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)C(=O)C3(O)OC(C(O)C(C)(C)O)CC(C)C3C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 692.84 | Num_heavy_atoms: | 49 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD58483
Formula: C32H48O8
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)C(=O)C3(O)OC(C(O)C(C)(C)O)CC(C)C3C12C| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 560.73 | Num_heavy_atoms: | 40 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
