Glycoside
GD122823
Name:
33-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-1,3,5,7,9,11,13,37-octahydroxy-17-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl}-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acidFormula:
C59H88O19N2Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(CC(OC4OC(C)C(O)C(N)C4O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1Aglycone:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.61 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 11 |
| MolWt: | 1129.35 | Num_heavy_atoms: | 80 |
| TPSA: | 368.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD49536
Formula: C53H77O16N
Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1| HBA: | 17 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.57 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 984.19 | Num_heavy_atoms: | 70 |
| TPSA: | 304.23 | NumAromaticRings: | 1 |
