Glycoside
GD134264
Name:
[3,4,5-tris(acetyloxy)-6-(4-{[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]carbamoyl}-2-methoxyphenoxy)oxan-2-yl]methyl acetateFormula:
C32H37O13NSmiles:
COc1cc(C(O)=NCC2OCCc3ccccc32)ccc1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.COc1cc(C(O)=NCC2OCCc3ccccc32)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 643.64 | Num_heavy_atoms: | 46 |
| TPSA: | 174.71 | NumAromaticRings: | 2 |
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 |
AD54320
Formula: C18H19O4N
Smiles:
COc1cc(C(O)=NCC2OCCc3ccccc32)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 313.35 | Num_heavy_atoms: | 23 |
| TPSA: | 71.28 | NumAromaticRings: | 2 |
