Glycoside
GD154173
Name:
2-[(5-{6,16-dihydroxy-7,13-dimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-6-yl}-3-methyloxolan-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H52O10Smiles:
CC1CC(C2(O)OC3CC4C(CCC5C4CCC4CC(O)CCC45C)C3C2C)OC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1CC(C2(O)OC3CC4C(CCC5C4CCC4CC(O)CCC45C)C3C2C)OC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 596.76 | Num_heavy_atoms: | 42 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD61271
Formula: C26H42O5
Smiles:
CC1CC(C2(O)OC3CC4C(CCC5C4CCC4CC(O)CCC45C)C3C2C)OC1O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 434.62 | Num_heavy_atoms: | 31 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
