Glycoside
GD155005
Name:
1-{10,11-dihydroxy-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}-2-methoxy-2-methylpropyl acetateFormula:
C38H62O11Smiles:
COC(C)(C)C(OC(C)=O)C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(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)C3CCC4C(C)(C)C(O)CCC45CC35CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 694.9 | Num_heavy_atoms: | 49 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD61521
Formula: C33H54O7
Smiles:
COC(C)(C)C(OC(C)=O)C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 562.79 | Num_heavy_atoms: | 40 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
