Glycoside
GD139811
Name:
2-{[2,7-dihydroxy-3a,6,9b,11a-tetramethyl-1-(2,3,6-trihydroxy-6-methylhept-4-en-2-yl)-1H,2H,3H,3aH,3bH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H52O11Smiles:
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1C=CC1C2(C)CCC2(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC12CAglycone:
Cc1c(O)c(O)cc2c1C=CC1C2(C)CCC2(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 200.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD56383
Formula: C29H42O6
Smiles:
Cc1c(O)c(O)cc2c1C=CC1C2(C)CCC2(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 486.65 | Num_heavy_atoms: | 35 |
| TPSA: | 121.38 | NumAromaticRings: | 1 |
