Glycoside
GD131763
Name:
7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4b-methyl-2-(2-methylfuran-3-yl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-oneFormula:
C39H58O16Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C(=O)C(c5ccoc5C)CCC43)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Cc1occc1C1CCC2C(CC=C3CC(O)CCC32C)C1=OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 782.88 | Num_heavy_atoms: | 55 |
| TPSA: | 236.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD48793
Formula: C20H26O3
Smiles:
Cc1occc1C1CCC2C(CC=C3CC(O)CCC32C)C1=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.43 | Num_heavy_atoms: | 23 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
