Glycoside
GD126360
Name:
8,19-bis(hydroxymethyl)-2,8,15,19-tetramethyl-17-({4-[(methylamino)methyl]phenyl}methoxy)-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹âµ,²â°]pentacos-11-ene-5-carboxylic acidFormula:
C46H69O10NSmiles:
CNCc1ccc(COC2CC3(C)C(CCC45CCCC(C=C6C7CC(C)(CO)CCC7(C(=O)O)CCC64C)C35)C(C)(CO)C2OC2OCC(O)C(O)C2O)cc1Aglycone:
CNCc1ccc(COC2CC3(C)C(CCC45CCCC(C=C6C7CC(C)(CO)CCC7(C(=O)O)CCC64C)C35)C(C)(CO)C2O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 796.06 | Num_heavy_atoms: | 57 |
| TPSA: | 178.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD51121
Formula: C41H61O6N
Smiles:
CNCc1ccc(COC2CC3(C)C(CCC45CCCC(C=C6C7CC(C)(CO)CCC7(C(=O)O)CCC64C)C35)C(C)(CO)C2O)cc1| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 6.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 663.94 | Num_heavy_atoms: | 48 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
