Glycoside

GD137968
Name:
2-{[9,14-dihydroxy-14-(hydroxymethyl)-3,10-dimethyl-6-(propan-2-yl)tricyclo[9.3.0.0³,â·]tetradeca-1,6-dien-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H42O9Smiles:
CC(C)C1=C2C(OC3OC(CO)C(O)C(O)C3O)C(O)C(C)C3CCC(O)(CO)C3=CC2(C)CC1Aglycone:
CC(C)C1=C2C(O)C(O)C(C)C3CCC(O)(CO)C3=CC2(C)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 4 |
HBD: | 7 | FractionCSP3: | 0.85 |
AlogP: | -0.01 | Num_rotatable_bonds: | 5 |
MolWt: | 498.61 | Num_heavy_atoms: | 35 |
TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD55709
Formula: C20H32O4
Smiles:
CC(C)C1=C2C(O)C(O)C(C)C3CCC(O)(CO)C3=CC2(C)CC1HBA: | 4 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.8 |
AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
MolWt: | 336.47 | Num_heavy_atoms: | 24 |
TPSA: | 80.92 | NumAromaticRings: | 0 |