Glycoside
GD120215
Name:
9-butanoyl-2-{4-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]phenyl}-4-oxo-1,5,9-triazacyclotridecan-11-yl acetateFormula:
C34H53O14N3Smiles:
CCCC(=O)N1CCCN=C(O)CC(c2ccc(OC3OC(C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)cc2)NCCC(OC(C)=O)C1Aglycone:
CCCC(=O)N1CCCN=C(O)CC(c2ccc(O)cc2)NCCC(OC(C)=O)C1Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.74 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 727.81 | Num_heavy_atoms: | 51 |
| TPSA: | 249.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD45910
Formula: C22H33O5N3
Smiles:
CCCC(=O)N1CCCN=C(O)CC(c2ccc(O)cc2)NCCC(OC(C)=O)C1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 419.52 | Num_heavy_atoms: | 30 |
| TPSA: | 111.46 | NumAromaticRings: | 1 |
