Glycoside
GD146284
Name:
8-ethoxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-15-yl acetateFormula:
C35H56O9Smiles:
CCOC1CC(C)C2C(CC3(C)C4CC(OC(C)=O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1Aglycone:
CCOC1CC(C)C2C(CC3(C)C4CC(OC(C)=O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 123.91 | 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 |
