Glycoside
GD120926
Name:
6-({[2,3-dihydroxy-5-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]cyclohexyl]oxy}methyl)-3,5-dihydroxyoxan-2-yl 8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C48H78O18Smiles:
CC1CCC2(C(=O)OC3OC(COC4CC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)CC3O)CCC3C(=CCC4C3(C)CC(O)C3C(C)(CO)C(O)C(O)CC43C)C2C1CAglycone:
CC1CCC2(C(=O)O)CCC3C(=CCC4C3(C)CC(O)C3C(C)(CO)C(O)C(O)CC43C)C2C1C.COC1CC(CO)C(O)C(O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1CC(O)C(O)OC1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 943.13 | Num_heavy_atoms: | 66 |
| TPSA: | 305.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD47730
Formula: C8H16O5
Smiles:
COC1CC(CO)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.21 | Num_heavy_atoms: | 13 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
AD48626
Formula: C29H46O6
Smiles:
CC1CCC2(C(=O)O)CCC3C(=CCC4C3(C)CC(O)C3C(C)(CO)C(O)C(O)CC43C)C2C1C| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.68 | Num_heavy_atoms: | 35 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
