Glycoside
GD148945
Name:
methyl 3,4-bis(acetyloxy)-6-{[4-(acetyloxy)-6-{[3-(acetyloxy)-5-acetamido-2-methoxy-6-methyloxan-4-yl]oxy}-2-[(acetyloxy)methyl]-5-acetamidooxan-3-yl]oxy}-5-acetamidooxane-2-carboxylateFormula:
C36H53O21N3Smiles:
COC(=O)C1OC(OC2C(COC(C)=O)OC(OC3C(N=C(C)O)C(C)OC(OC)C3OC(C)=O)C(N=C(C)O)C2OC(C)=O)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=OSugarmoiety:
COC1OC(C)C(N=C(C)O)C(OC2OC(COC(C)=O)C(OC3OOC(OC(C)=O)C(OC(C)=O)C3N=C(C)O)C(OC(C)=O)C2N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 15 |
| MolWt: | 863.82 | Num_heavy_atoms: | 60 |
| TPSA: | 310.95 | 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
SD09608
COC1OC(C)C(N=C(C)O)C(OC2OC(COC(C)=O)C(OC3OOC(OC(C)=O)C(OC(C)=O)C3N=C(C)O)C(OC(C)=O)C2N=C(C)O)C1OC(C)=O