Glycoside
GD140336
Name:
(6-{[3-(acetyloxy)-5-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-5-acetamido-4-hydroxy-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl)methyl acetateFormula:
C33H49O22NSmiles:
COC1OC(CO)C(OC(C)=O)C(OC2OC(COC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2N=C(C)O)C1OAglycone:
COC(C)=O.COC(C)=OSugarmoiety:
COC1OC(CO)OC(OC2OC(O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2N=C(C)O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 15 |
| MolWt: | 811.74 | Num_heavy_atoms: | 56 |
| TPSA: | 306.46 | NumAromaticRings: | 0 |
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 |
Sugarmoiety
SD08574
COC1OC(CO)OC(OC2OC(O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2N=C(C)O)C1O