Glycoside
GD138115
Name:
5-(acetyloxy)-4a-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-[(2-methylbut-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4-yl 2-methylbut-2-enoateFormula:
C47H72O12Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(COC3OC(CO)C(O)C3O)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)CAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 6.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 829.08 | Num_heavy_atoms: | 59 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD16472
Formula: C42H64O8
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 7.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 696.97 | Num_heavy_atoms: | 50 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
