Glycoside
GD141535
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5,6-dihydroxy-7-(2-hydroxypropyl)-1,4a-dimethyl-9-oxo-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylateFormula:
C26H36O11Smiles:
CC(O)Cc1cc2c(c(O)c1O)C1(C)CCCC(C)(C(=O)OC3OC(CO)C(O)C(O)C3O)C1CC2=OAglycone:
CC(O)Cc1cc2c(c(O)c1O)C1(C)CCCC(C)(C(=O)O)C1CC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 524.56 | Num_heavy_atoms: | 37 |
| TPSA: | 194.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD57008
Formula: C20H26O6
Smiles:
CC(O)Cc1cc2c(c(O)c1O)C1(C)CCCC(C)(C(=O)O)C1CC2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 115.06 | NumAromaticRings: | 1 |
