Glycoside
GD145078
Name:
2'-(5-hydroxy-7-methyl-3-oxooct-6-en-2-yl)-4'b,8',8',10'a-tetramethyl-7'-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-5-oneFormula:
C42H68O14Smiles:
CC(C)=CC(O)CC(=O)C(C)C1CCC2C3(C)CCC(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2Aglycone:
CC(C)=CC(O)CC(=O)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD58258
Formula: C30H48O5
Smiles:
CC(C)=CC(O)CC(=O)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
