Glycoside
GD136308
Name:
4-(7-{[3,5-bis(acetyloxy)-4-(2-oxopropyl)-6-({[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl)phenyl acetateFormula:
C42H46O20Smiles:
CC(=O)CC1C(OC(C)=O)C(COC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC(Oc2cc(O)c3c(=O)c(-c4ccc(OC(C)=O)cc4)coc3c2)C1OC(C)=OAglycone:
CC(=O)Oc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1Sugarmoiety:
CC(=O)CC1C(OC(C)=O)C(O)OC(COC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 14 |
| MolWt: | 870.81 | Num_heavy_atoms: | 62 |
| TPSA: | 262.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD55094
Formula: C17H12O6
Smiles:
CC(=O)Oc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 96.97 | NumAromaticRings: | 3 |
