Glycoside
GD157298
Name:
21-[(4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-1,3,5,25-tetrahydroxy-11,12-dimethyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acidFormula:
C36H53O14NSmiles:
CC(O)=NC1C(O)C(C)OC(OC2C=CC=CC=CC=CC(C)C(C)OC(=O)C=CCC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(C2)O3)C1OAglycone:
CC1C=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC=CC(=O)OC1C)CC(O)C2C(=O)OSugarmoiety:
CC(O)=NC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 723.81 | Num_heavy_atoms: | 51 |
| TPSA: | 245.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD59896
Formula: C28H40O10
Smiles:
CC1C=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC=CC(=O)OC1C)CC(O)C2C(=O)O| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 536.62 | Num_heavy_atoms: | 38 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
