Glycoside
GD149363
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-methylidene-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C43H68O14Smiles:
C=C1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC12C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC12C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 809.0 | Num_heavy_atoms: | 57 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD59736
Formula: C31H48O4
Smiles:
C=C1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC12C(=O)O| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 484.72 | Num_heavy_atoms: | 35 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
