Glycoside
GD127323
Name:
2-{[8-(1,2-dihydroxy-2-methylpropyl)-11-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docos-5(10)-en-18-yl]oxy}oxane-3,4,5-triolFormula:
C35H56O9Smiles:
CC1CC(C(O)C(C)(C)O)OC2=C1C1(C)CCC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CCC4C1(C)C2OAglycone:
CC1CC(C(O)C(C)(C)O)OC2=C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD51557
Formula: C30H48O5
Smiles:
CC1CC(C(O)C(C)(C)O)OC2=C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2O| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
