Glycoside

GD156235
Name:
8-(1,2-dihydroxy-2-methylpropyl)-18-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docos-13-ene-10,11-diolFormula:
C36H58O11Smiles:
CC1CC(C(O)C(C)(C)O)OC2(O)C1C1(C)CCC34CC35CCC(OC3OC(C(O)CO)C(O)C3O)C(C)(C)C5CC=C4C1(C)C2OAglycone:
CC1CC(C(O)C(C)(C)O)OC2(O)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2OSugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 7 |
HBD: | 8 | FractionCSP3: | 0.94 |
AlogP: | 1.36 | Num_rotatable_bonds: | 6 |
MolWt: | 666.85 | Num_heavy_atoms: | 47 |
TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD08616
Formula: C30H48O6
Smiles:
CC1CC(C(O)C(C)(C)O)OC2(O)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2OHBA: | 6 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.93 |
AlogP: | 3.53 | Num_rotatable_bonds: | 2 |
MolWt: | 504.71 | Num_heavy_atoms: | 36 |
TPSA: | 110.38 | NumAromaticRings: | 0 |