Glycoside
GD146775
Name:
So_Uy_033.1Formula:
C39H42O21Smiles:
COc1cc2c(=O)oc3c(OC)c(OC4CC(OC5OC(C)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)C(OC(C)=O)C(COC(C)=O)O4)cc4c(=O)oc(c1OC)c2c34Aglycone:
COC(C)=O.COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34Sugarmoiety:
CC(=O)OCC1OC(O)CC(OC2OC(C)OC(OC(C)=O)C2OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.51 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 13 |
| MolWt: | 846.74 | Num_heavy_atoms: | 60 |
| TPSA: | 256.53 | NumAromaticRings: | 4 |
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 |
AD05280
Formula: C17H12O8
Smiles:
COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 108.34 | NumAromaticRings: | 4 |
