Glycoside
GD139858
Name:
2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-11-({4-[(methylamino)methyl]phenyl}methoxy)-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:
C44H67O10NSmiles:
CNCc1ccc(COC2CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(CO)CCC5(C(=O)O)CCC34C)C(C)(CO)C2OC2OCC(O)C(O)C2O)cc1Aglycone:
CNCc1ccc(COC2CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(CO)CCC5(C(=O)O)CCC34C)C(C)(CO)C2O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 770.02 | Num_heavy_atoms: | 55 |
| TPSA: | 178.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD56405
Formula: C39H59O6N
Smiles:
CNCc1ccc(COC2CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(CO)CCC5(C(=O)O)CCC34C)C(C)(CO)C2O)cc1| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 6.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 637.9 | Num_heavy_atoms: | 46 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
