Glycoside
GD140067
Name:
4-methyl 8a-[3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl] 2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylateFormula:
C38H60O12Smiles:
COCC1OC(OC(=O)C23CCC(C)C(C)(O)C2C2=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC)C5CCC4(C)C2(C)CC3)C(O)C(O)C1OAglycone:
COC(=O)C1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21CSugarmoiety:
COCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 708.89 | Num_heavy_atoms: | 50 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD52675
Formula: C31H48O7
Smiles:
COC(=O)C1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 532.72 | Num_heavy_atoms: | 38 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
