Glycoside
GD145808
Name:
2-hydroxy-2-methyl-1-{7,10,11-trihydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-8-yl}propyl acetateFormula:
C37H60O12Smiles:
CC(=O)OC(C1OC2(O)C(C(C)C1O)C1(C)CCC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CCC4C1(C)C2O)C(C)(C)OAglycone:
CC(=O)OC(C1OC2(O)C(C(C)C1O)C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2O)C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 696.88 | Num_heavy_atoms: | 49 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD58505
Formula: C32H52O8
Smiles:
CC(=O)OC(C1OC2(O)C(C(C)C1O)C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2O)C(C)(C)O| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 564.76 | Num_heavy_atoms: | 40 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
