Glycoside
GD139032
Name:
16,19-dihydroxy-4,5,9,9,13,19,20-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-21-oxahexacyclo[18.2.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracos-17-en-22-oneFormula:
C35H54O9Smiles:
CC1(C)C(OC2OCC(O)C(O)C2O)CCC2(C)C1CCC1(C)C2CC(O)C2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CAglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 618.81 | Num_heavy_atoms: | 44 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD08875
Formula: C30H46O5
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
