Glycoside
GD123016
Name:
So-75R1Formula:
C28H32O11Smiles:
COc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C)(O)CC3OC1OC(C)C(O)C(OC)C1OAglycone:
COc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C)(O)CC3OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.55 | Num_heavy_atoms: | 39 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD46517
Formula: C21H20O7
Smiles:
COc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C)(O)CC3O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
