Glycoside
GD148198
Name:
2-[(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}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H62O16Smiles:
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2OC2OC(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(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.76 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 810.93 | Num_heavy_atoms: | 57 |
| TPSA: | 279.68 | 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 |
