Glycoside
GD148188
Name:
22-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-6,8,10,12,14,18,20-heptahydroxy-38-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl}-37-methyl-2,4,7,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acidFormula:
C59H84O20N2Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(=O)CC(O)C(=O)C(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)C(=O)C(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: | 22 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.56 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 11 |
| MolWt: | 1141.32 | Num_heavy_atoms: | 81 |
| TPSA: | 390.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD59309
Formula: C53H73O17N
Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(=O)CC(O)C(=O)C(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: | 18 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.51 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 996.16 | Num_heavy_atoms: | 71 |
| TPSA: | 325.98 | NumAromaticRings: | 1 |
