Glycoside
GD133789
Name:
33-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-17-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-1,3,5,7,9,37-hexahydroxy-18-methyl-13,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acidFormula:
C58H84O18N2Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)CC(O)CC(O)CCCC(=O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)OAglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC(O)CC(O)CCCC(=O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.59 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 1097.31 | Num_heavy_atoms: | 78 |
| TPSA: | 359.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD54132
Formula: C52H73O15N
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC(O)CC(O)CCCC(=O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)O| HBA: | 16 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.54 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 952.15 | Num_heavy_atoms: | 68 |
| TPSA: | 294.83 | NumAromaticRings: | 1 |
