Glycoside
GD121676
Name:
[3,4-bis(acetyloxy)-5-pentadecanamido-6-[(2-phenylacetyl)oxy]oxan-2-yl]methyl acetateFormula:
C35H53O10NSmiles:
CCCCCCCCCCCCCCC(O)=NC1C(OC(=O)Cc2ccccc2)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CCCCCCCCCCCCCCC(=N)O.COC(C)=O.O=C(O)Cc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 6.34 | Num_rotatable_bonds: | 21 |
| MolWt: | 647.81 | Num_heavy_atoms: | 46 |
| TPSA: | 147.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00909
Formula: C8H8O2
Smiles:
O=C(O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD45534
Formula: C15H31ON
Smiles:
CCCCCCCCCCCCCCC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.61 | Num_rotatable_bonds: | 13 |
| MolWt: | 241.42 | Num_heavy_atoms: | 17 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
