Glycoside

GD158176
Name:
1-(18-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-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-8-yl)-2-hydroxy-2-methylpropyl acetateFormula:
C38H60O11Smiles:
CC(=O)OC(C1CC(C)C2=C(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5OC(C(O)CO)C(O)C5O)CCC45CC35CCC21C)C(C)(C)OAglycone:
CC(=O)OC(C1CC(C)C2=C(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)OSugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 7 |
HBD: | 6 | FractionCSP3: | 0.92 |
AlogP: | 2.96 | Num_rotatable_bonds: | 7 |
MolWt: | 692.89 | Num_heavy_atoms: | 49 |
TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD05342
Formula: C32H50O6
Smiles:
CC(=O)OC(C1CC(C)C2=C(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)OHBA: | 6 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 0.91 |
AlogP: | 5.13 | Num_rotatable_bonds: | 3 |
MolWt: | 530.75 | Num_heavy_atoms: | 38 |
TPSA: | 96.22 | NumAromaticRings: | 0 |