Glycoside

GD117747
Name:
4-methyl 8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 11-[(acetyloxy)methyl]-3-hydroxy-4,6a,6b,11,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylateFormula:
C39H60O12Smiles:
COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(COC(C)=O)CCC3(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC21CAglycone:
COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(COC(C)=O)CCC3(C(=O)O)CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.87 |
AlogP: | 3.19 | Num_rotatable_bonds: | 6 |
MolWt: | 720.9 | Num_heavy_atoms: | 51 |
TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD46986
Formula: C33H50O7
Smiles:
COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(COC(C)=O)CCC3(C(=O)O)CCC21CHBA: | 7 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.85 |
AlogP: | 5.93 | Num_rotatable_bonds: | 4 |
MolWt: | 558.76 | Num_heavy_atoms: | 40 |
TPSA: | 110.13 | NumAromaticRings: | 0 |