Glycoside
GD117404
Name:
22-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-4,10,12,14,18,20-hexahydroxy-37-methyl-2,8,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acidFormula:
C59H86O18N2Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=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)c1ccc(N)cc1Aglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=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)c1ccc(N)cc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.58 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 1111.33 | Num_heavy_atoms: | 79 |
| TPSA: | 367.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD46803
Formula: C53H75O15N
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=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)c1ccc(N)cc1| HBA: | 16 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 966.17 | Num_heavy_atoms: | 69 |
| TPSA: | 302.67 | NumAromaticRings: | 1 |
