Glycoside
GD152291
Name:
NoneFormula:
C34H34O17Smiles:
OCC1OC(OC2=C(c3ccc(O)c(O)c3)[OH+]c3cc(O)cc4c3C2=C[C](c2ccc(O)c(O)c2)O4)C(OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
OC1=C(c2ccc(O)c(O)c2)[OH+]c2cc(O)cc3c2C1=CC(c1ccc(O)c(O)c1)O3Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.32 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 714.63 | Num_heavy_atoms: | 51 |
| TPSA: | 281.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD50801
Formula: C23H17O8
Smiles:
OC1=C(c2ccc(O)c(O)c2)[OH+]c2cc(O)cc3c2C1=CC(c1ccc(O)c(O)c1)O3| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.04 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 421.38 | Num_heavy_atoms: | 31 |
| TPSA: | 143.41 | NumAromaticRings: | 3 |
