Glycoside
GD134890
Name:
7-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,3a,11-triolFormula:
C35H60O12Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(O)(C(C)O)CCC43O)C2)OC(C)C1OC1OC(C)C(O)C(OC)C1OAglycone:
CC(O)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 672.85 | Num_heavy_atoms: | 47 |
| TPSA: | 176.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD54567
Formula: C21H36O5
Smiles:
CC(O)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.51 | Num_heavy_atoms: | 26 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
