Glycoside
GD128009
Name:
4-[3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C29H44O13Smiles:
CC12CC(O)C3C(CCC4(O)CC(OC5OC(CO)C(O)C(O)C5O)CC(O)C34CO)C1(O)CCC2C1=CC(=O)OC1Aglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 600.66 | Num_heavy_atoms: | 42 |
| TPSA: | 226.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD01013
Formula: C23H34O8
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 438.52 | Num_heavy_atoms: | 31 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
