Glycoside
GD120818
Name:
8,17-bis(hydroxymethyl)-1,2,8,15,17-pentamethyl-19-({4-[(methylamino)methyl]phenyl}methoxy)-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°.0¹â¶,²³]tetracosa-11,21-diene-5-carboxylic acidFormula:
C46H67O10NSmiles:
CNCc1ccc(COC2C(OC3OCC(O)C(O)C3O)C(C)(CO)C3C4C=CC2C3(C)C2CC=C3C5CC(C)(CO)CCC5(C(=O)O)CCC3(C)C2(C)C4)cc1Aglycone:
CNCc1ccc(COC2C(O)C(C)(CO)C3C4C=CC2C3(C)C2CC=C3C5CC(C)(CO)CCC5(C(=O)O)CCC3(C)C2(C)C4)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 794.04 | Num_heavy_atoms: | 57 |
| TPSA: | 178.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD48579
Formula: C41H59O6N
Smiles:
CNCc1ccc(COC2C(O)C(C)(CO)C3C4C=CC2C3(C)C2CC=C3C5CC(C)(CO)CCC5(C(=O)O)CCC3(C)C2(C)C4)cc1| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 6.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 661.92 | Num_heavy_atoms: | 48 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
