Glycoside
GD133253
Name:
3-(acetyloxy)-5-hydroxy-2-({2-hydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,6,6,9a,9b,11a-hexamethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)oxan-4-yl acetateFormula:
C46H76O16Smiles:
CC(=O)OC1C(O)COC(OC2CCC3(C)C(C(OC4OC(CO)C(O)C(O)C4O)CC4C5(C)CC(O)C(C6(C)CCC(C(C)(C)O)O6)C5(C)CCC43C)C2(C)C)C1OC(C)=OAglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC5(C)C4(C)CCC23C)O1Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 885.1 | Num_heavy_atoms: | 62 |
| TPSA: | 240.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD45645
Formula: C31H54O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC5(C)C4(C)CCC23C)O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 506.77 | Num_heavy_atoms: | 36 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
