Glycoside
GD139236
Name:
4-[3-hydroxy-2-(2-{6-[(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]-8a-methyl-2-oxo-decahydronaphthalen-1-yl}ethyl)-2-methylcyclopentyl]-2,5-dihydrofuran-2-oneFormula:
C42H66O18Smiles:
COC1CC(OC2CCC3(C)C(CCC(=O)C3CCC3(C)C(O)CCC3C3=CC(=O)OC3)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(CCC2C(=O)CCC3CC(O)CCC32C)C(O)CCC1C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 13 |
| MolWt: | 858.97 | Num_heavy_atoms: | 60 |
| TPSA: | 269.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD46319
Formula: C23H34O5
Smiles:
CC1(CCC2C(=O)CCC3CC(O)CCC32C)C(O)CCC1C1=CC(=O)OC1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
