Glycoside
GD138926
Name:
[3,4-bis(acetyloxy)-5-acetamido-6-{4-[3-(furan-2-yl)prop-2-enoyl]phenoxy}oxan-2-yl]methyl acetateFormula:
C27H29O11NSmiles:
CC(=O)OCC1OC(Oc2ccc(C(=O)C=Cc3ccco3)cc2)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=C(C=Cc1ccco1)c1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 543.53 | Num_heavy_atoms: | 39 |
| TPSA: | 160.16 | 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 |
AD44564
Formula: C13H10O3
Smiles:
O=C(C=Cc1ccco1)c1ccc(O)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 214.22 | Num_heavy_atoms: | 16 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
