Glycoside
GD150105
Name:
22-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,14,18,20-tetrahydroxy-37-methyl-2,4,8,12,16-pentaoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acidFormula:
C59H82O18N2Smiles:
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: | 12 | FractionCSP3: | 0.54 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 1107.3 | Num_heavy_atoms: | 79 |
| TPSA: | 361.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD59980
Formula: C53H71O15N
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: | 9 | FractionCSP3: | 0.49 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 962.14 | Num_heavy_atoms: | 69 |
| TPSA: | 296.35 | NumAromaticRings: | 1 |
