Glycoside
GD147698
Name:
9a-(hydroxymethyl)-1-(5-hydroxyoxolan-3-yl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-3a,5a,9,10-tetrolFormula:
C29H48O12Smiles:
CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1OAglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34CO)C1(O)CCC2C1COC(O)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 588.69 | Num_heavy_atoms: | 41 |
| TPSA: | 209.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD59142
Formula: C23H38O8
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34CO)C1(O)CCC2C1COC(O)C1| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.55 | Num_heavy_atoms: | 31 |
| TPSA: | 150.84 | NumAromaticRings: | 0 |
