Glycoside

GD146681
Name:
2-{[15-(5,6-dihydroxy-6-methylheptan-2-yl)-18-hydroxy-1,6,6,12,16-pentamethyl-8-oxapentacyclo[9.7.0.0²,â·.0â·,â¹.0¹²,¹â¶]octadecan-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O10Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC4OC45C(CCC(OC4OC(CO)C(O)C(O)C4O)C5(C)C)C3(C)C(O)CC12CAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC4OC45C(CCC(O)C5(C)C)C3(C)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 1.0 |
AlogP: | 2.51 | Num_rotatable_bonds: | 8 |
MolWt: | 654.88 | Num_heavy_atoms: | 46 |
TPSA: | 172.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD58793
Formula: C30H52O5
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC4OC45C(CCC(O)C5(C)C)C3(C)C(O)CC12CHBA: | 5 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 1.0 |
AlogP: | 4.68 | Num_rotatable_bonds: | 5 |
MolWt: | 492.74 | Num_heavy_atoms: | 35 |
TPSA: | 93.45 | NumAromaticRings: | 0 |