Glycoside

GD154871
Name:
15-(5,6-dihydroxy-6-methylheptan-2-yl)-9-hydroxy-7,7,12,16-tetramethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-yl acetateFormula:
C38H64O11Smiles:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)OAglycone:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.97 |
AlogP: | 2.67 | Num_rotatable_bonds: | 9 |
MolWt: | 696.92 | Num_heavy_atoms: | 49 |
TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD50215
Formula: C32H54O6
Smiles:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)OHBA: | 6 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.97 |
AlogP: | 4.85 | Num_rotatable_bonds: | 6 |
MolWt: | 534.78 | Num_heavy_atoms: | 38 |
TPSA: | 107.22 | NumAromaticRings: | 0 |