Glycoside
GD115122
Name:
22-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-38-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-4,8,10,12,14,18,20-heptahydroxy-37-methyl-2,6,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acidFormula:
C58H84O19N2Smiles:
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)CC(=O)CC(O)CC(=O)OC1C(C)CCC(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)CC(=O)CC(O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.57 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 1113.31 | Num_heavy_atoms: | 79 |
| TPSA: | 387.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD45482
Formula: C52H73O16N
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)CC(=O)CC(O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1| HBA: | 17 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 968.15 | Num_heavy_atoms: | 69 |
| TPSA: | 322.9 | NumAromaticRings: | 1 |
