Glycoside
GD123616
Name:
SporormiellosideFormula:
C21H22O11Smiles:
COc1cc(O)c2c(=O)c3c(O)cc(C)cc3oc2c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c2c(=O)c3c(O)cc(C)cc3oc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD49902
Formula: C15H12O6
Smiles:
COc1cc(O)c2c(=O)c3c(O)cc(C)cc3oc2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
