Glycoside
GD129927
Name:
NoneFormula:
C31H31O13Smiles:
COc1cc(C=CC(=O)OC2=Cc3c(cc(O)cc3OC3OC(C[OH2+])C(O)C(O)C3O)OC2c2ccc(O)cc2)ccc1OAglycone:
COc1cc(C=CC(=O)OC2=Cc3c(O)cc(O)cc3OC2c2ccc(O)cc2)ccc1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 611.58 | Num_heavy_atoms: | 44 |
| TPSA: | 207.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD52639
Formula: C25H20O8
Smiles:
COc1cc(C=CC(=O)OC2=Cc3c(O)cc(O)cc3OC2c2ccc(O)cc2)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.43 | Num_heavy_atoms: | 33 |
| TPSA: | 125.68 | NumAromaticRings: | 3 |
