Glycoside
GD138824
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7,9-dihydroxy-3a,6,9a,11a-tetramethyl-1-(4,5,6-trihydroxy-6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-6-carboxylateFormula:
C36H62O12Smiles:
CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C4(C)C3CCC12CAglycone:
CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 686.88 | Num_heavy_atoms: | 48 |
| TPSA: | 217.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD56007
Formula: C30H52O7
Smiles:
CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C4(C)C3CCC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.74 | Num_heavy_atoms: | 37 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
