Glycoside
GD124853
Name:
N-[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-[(2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl)oxy]oxan-3-yl]ethanimidic acidFormula:
C30H31O11NSmiles:
CC(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 581.57 | Num_heavy_atoms: | 42 |
| TPSA: | 160.16 | NumAromaticRings: | 3 |
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 |
AD43957
Formula: C16H12O3
Smiles:
Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 252.27 | Num_heavy_atoms: | 19 |
| TPSA: | 50.44 | NumAromaticRings: | 3 |
