Glycoside
GD128943
Name:
2-({2-hydroxy-3a,6,6,9a-tetramethyl-3-[2-methyl-5-(2,5,6-trihydroxy-6-methylheptan-2-yl)oxolan-2-yl]-dodecahydro-1H-cyclopenta[a]naphthalen-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H64O11Smiles:
CC(C)(O)C(O)CCC(C)(O)C1CCC(C)(C2C(O)CC3C2(C)CCC2C(C)(C)C(OC4OC(CO)C(O)C(O)C4O)CCC23C)O1Aglycone:
CC(C)(O)C(O)CCC(C)(O)C1CCC(C)(C2C(O)CC3C2(C)CCC2C(C)(C)C(O)CCC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 672.9 | Num_heavy_atoms: | 47 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD52227
Formula: C30H54O6
Smiles:
CC(C)(O)C(O)CCC(C)(O)C1CCC(C)(C2C(O)CC3C2(C)CCC2C(C)(C)C(O)CCC23C)O1| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.76 | Num_heavy_atoms: | 36 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
