Glycoside
GD128737
Name:
NoneFormula:
C32H40O19Smiles:
OCC1OC(Oc2cc(O)cc3c2C=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(=C2C=C[C](O)C=C2)[OH+]3)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.53 |
| AlogP: | -4.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 728.65 | Num_heavy_atoms: | 51 |
| TPSA: | 310.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD45378
Formula: C15H13O5
Smiles:
OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 273.26 | Num_heavy_atoms: | 20 |
| TPSA: | 93.72 | NumAromaticRings: | 1 |
