Glycoside
GD114204
Name:
18-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-8-ethoxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-15-yl acetateFormula:
C41H66O14Smiles:
CCOC1CC(C)C2C(CC3(C)C4CC(OC(C)=O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)O1Aglycone:
CCOC1CC(C)C2C(CC3(C)C4CC(OC(C)=O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.98 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 782.97 | Num_heavy_atoms: | 55 |
| TPSA: | 203.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD44897
Formula: C30H48O5
Smiles:
CCOC1CC(C)C2C(CC3(C)C4CC(OC(C)=O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 5.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
