Glycoside
GD132783
Name:
2-[3'-(2-hydroxypropan-2-yl)-4,6,12,17,17-pentamethyl-9-oxaspiro[hexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosane-8,2'-oxiran]-7-oloxy]oxane-3,4,5-triolFormula:
C35H56O9Smiles:
CC1C(O)C2(OC3CC4(C)C5CCC6C(C)(C)C(OC7OCC(O)C(O)C7O)CCC67CC57CCC4(C)C31)OC2C(C)(C)OAglycone:
CC1C(O)C2(OC3CC4(C)C5CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C31)OC2C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 141.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD53757
Formula: C30H48O5
Smiles:
CC1C(O)C2(OC3CC4(C)C5CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C31)OC2C(C)(C)O| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
