Glycoside
GD155061
Name:
3a,5a,10-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carboxylic acidFormula:
C29H42O12Smiles:
CC1OC(OC2CCC3(C(=O)O)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1OAglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 582.64 | Num_heavy_atoms: | 41 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD61539
Formula: C23H32O8
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 436.5 | Num_heavy_atoms: | 31 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
