Glycoside
GD138821
Name:
6-ethyl-11-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-12-[(5-oxopyrrolidin-3-yl)methyl]-10-[(3,4,5-trihydroxyoxan-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-carboxylic acidFormula:
C42H67O11NSmiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)C(CC5CN=C(O)C5)C(O)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C21CAglycone:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)C(CC5CN=C(O)C5)C(O)C(O)C(C)(CO)C4CCC3(C)C21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 761.99 | Num_heavy_atoms: | 54 |
| TPSA: | 209.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD56006
Formula: C37H59O7N
Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)C(CC5CN=C(O)C5)C(O)C(O)C(C)(CO)C4CCC3(C)C21C| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 629.88 | Num_heavy_atoms: | 45 |
| TPSA: | 150.81 | NumAromaticRings: | 0 |
