Glycoside
GD149299
Name:
21-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-butyl-1,3,5,25-tetrahydroxy-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acidFormula:
C36H55O13NSmiles:
CCCCC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)CC=CC(=O)O1)CC(O)C2C(=O)OAglycone:
CCCCC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC=CC(=O)O1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 709.83 | Num_heavy_atoms: | 50 |
| TPSA: | 238.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD59709
Formula: C30H44O10
Smiles:
CCCCC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC=CC(=O)O1)CC(O)C2C(=O)O| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 564.67 | Num_heavy_atoms: | 40 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
