Glycoside
GD123728
Name:
methyl 33-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-17-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-1,3,5,7,9,13,37-heptahydroxy-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylateFormula:
C59H86O19N2Smiles:
COC(=O)C1C(O)CC2(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(=O)OC(C(C)CCC(O)CC(=O)c3ccc(N)cc3)C(C)C=CC=CC=CC=CC=CC=CC=CC(OC3OC(C)C(O)C(N)C3O)CC1O2Aglycone:
COC(=O)C1C(O)CC2(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(=O)OC(C(C)CCC(O)CC(=O)c3ccc(N)cc3)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC1O2Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.59 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 1127.33 | Num_heavy_atoms: | 80 |
| TPSA: | 368.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD49953
Formula: C53H75O16N
Smiles:
COC(=O)C1C(O)CC2(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(=O)OC(C(C)CCC(O)CC(=O)c3ccc(N)cc3)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC1O2| HBA: | 17 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 982.17 | Num_heavy_atoms: | 70 |
| TPSA: | 304.06 | NumAromaticRings: | 1 |
