Glycoside

GD152413
Name:
7,7,12,16-tetramethyl-15-(6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-4,6,14,17-tetrolFormula:
C36H60O10Smiles:
CC(=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CC(O)C45CC35CC(O)C12C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CC(O)C45CC35CC(O)C12C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 8 | FractionCSP3: | 0.94 |
AlogP: | 1.88 | Num_rotatable_bonds: | 8 |
MolWt: | 652.87 | Num_heavy_atoms: | 46 |
TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD60687
Formula: C30H50O5
Smiles:
CC(=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CC(O)C45CC35CC(O)C12C)COHBA: | 5 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.93 |
AlogP: | 4.05 | Num_rotatable_bonds: | 5 |
MolWt: | 490.73 | Num_heavy_atoms: | 35 |
TPSA: | 101.15 | NumAromaticRings: | 0 |