Glycoside
GD117484
Name:
2-methoxy-2-methyl-1-{10,11,14-trihydroxy-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-8-yl}propyl acetateFormula:
C38H62O12Smiles:
COC(C)(C)C(OC(C)=O)C1CC(C)C2C(O)(O1)C(O)C1(C)C3C(O)CC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC21CAglycone:
COC(C)(C)C(OC(C)=O)C1CC(C)C2C(O)(O1)C(O)C1(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 710.9 | Num_heavy_atoms: | 50 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD46847
Formula: C33H54O8
Smiles:
COC(C)(C)C(OC(C)=O)C1CC(C)C2C(O)(O1)C(O)C1(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC21C| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 578.79 | Num_heavy_atoms: | 41 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
