Glycoside
GD153736
Name:
22-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,8,10,12,14,18,20-heptahydroxy-38-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl}-37-methyl-2,6,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acidFormula:
C59H86O19N2Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CC=CC=CC=CC2C)cc1Aglycone:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)cc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.58 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 1127.33 | Num_heavy_atoms: | 80 |
| TPSA: | 373.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD61115
Formula: C53H75O16N
Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)cc1| HBA: | 17 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 982.17 | Num_heavy_atoms: | 70 |
| TPSA: | 308.91 | NumAromaticRings: | 1 |
