Glycoside
GD151718
Name:
9-(2-methylbutanoyl)-4-oxo-2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-1,5,9-triazacyclotridecan-11-yl acetateFormula:
C29H45O9N3Smiles:
CCC(C)C(=O)N1CCCN=C(O)CC(c2ccc(OC3OC(C)C(O)C(O)C3O)cc2)NCCC(OC(C)=O)C1Aglycone:
CCC(C)C(=O)N1CCCN=C(O)CC(c2ccc(O)cc2)NCCC(OC(C)=O)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 579.69 | Num_heavy_atoms: | 41 |
| TPSA: | 170.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD45211
Formula: C23H35O5N3
Smiles:
CCC(C)C(=O)N1CCCN=C(O)CC(c2ccc(O)cc2)NCCC(OC(C)=O)C1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 433.55 | Num_heavy_atoms: | 31 |
| TPSA: | 111.46 | NumAromaticRings: | 1 |
