Glycoside
GD151484
Name:
2-hydroxy-3a,6,9b,11a-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-8,10-dioneFormula:
C35H54O12Smiles:
CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)CCC(C)(C)O)C(O)CC12CAglycone:
CC1=C(O)C(=O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)CCC(C)(C)O)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 666.81 | Num_heavy_atoms: | 47 |
| TPSA: | 214.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD60410
Formula: C29H44O7
Smiles:
CC1=C(O)C(=O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)CCC(C)(C)O)C(O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 504.66 | Num_heavy_atoms: | 36 |
| TPSA: | 135.29 | NumAromaticRings: | 0 |
