Glycoside
GD149788
Name:
2-{22-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,10,12,14,18,20-hexahydroxy-38-[5-hydroxy-4-methyl-7-oxo-7-(pyridin-4-yl)heptan-2-yl]-37-methyl-2,8,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaen-19-yl}acetic acidFormula:
C59H86O18N2Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(CC(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccncc1Aglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(CC(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccncc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 1111.33 | Num_heavy_atoms: | 79 |
| TPSA: | 354.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD59880
Formula: C53H75O15N
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(CC(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccncc1| HBA: | 16 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 966.17 | Num_heavy_atoms: | 69 |
| TPSA: | 289.54 | NumAromaticRings: | 1 |
