Glycoside
GD115464
Name:
6-{[5-(acetyloxy)-4,10-dihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-3-yl]oxy}-5-hydroxy-2-methyl-4-[(2-methylbut-2-enoyl)oxy]oxan-3-yl 2-methylbut-2-enoateFormula:
C48H74O13Smiles:
CC=C(C)C(=O)OC1C(C)OC(OC2C(O)C3(CO)C(OC(C)=O)CC4(C)C(=CCC5C6(C)CCC(O)C(C)(CO)C6CCC54C)C3CC2(C)C)C(O)C1OC(=O)C(C)=CCAglycone:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(CO)C4CCC32C)C2CC(C)(C)C(O)C(O)C12CO.CC=C(C)C(=O)O.CC=C(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 859.11 | Num_heavy_atoms: | 61 |
| TPSA: | 198.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD45682
Formula: C32H52O7
Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(CO)C4CCC32C)C2CC(C)(C)C(O)C(O)C12CO| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 548.76 | Num_heavy_atoms: | 39 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
