Glycoside
GD157117
Name:
4-[3a,10-dihydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C29H44O10Smiles:
CC1OC(OC2CCC3(CO)C(CCC4C3C(O)CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1OAglycone:
CC12CC(O)C3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 552.66 | Num_heavy_atoms: | 39 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD52175
Formula: C23H34O6
Smiles:
CC12CC(O)C3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
