Glycoside
GD119658
Name:
10-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-19-hydroxy-16-methoxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracos-17-en-22-oneFormula:
C42H66O13Smiles:
COC1CC2C3(C)CCC(OC4OCC(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C2(C)CCC34CCC(C)(OC3=O)C(C)(O)C4=C12Aglycone:
COC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC34CCC(C)(OC3=O)C(C)(O)C4=C12Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 778.98 | Num_heavy_atoms: | 55 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD47981
Formula: C31H48O5
Smiles:
COC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC34CCC(C)(OC3=O)C(C)(O)C4=C12| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
