Glycoside
GD119674
Name:
NoneFormula:
C34H45O20Smiles:
OCC1OC(OC2C(OC3=C(c4ccc(O)c(O)c4)OC4C=C(O)C=C(OC5CC(C[OH2+])C(O)C(O)C5O)C4=C3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(OC2CC(C[OH2+])C(O)C(O)C2O)=C1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.59 |
| AlogP: | -4.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 773.71 | Num_heavy_atoms: | 54 |
| TPSA: | 341.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD47993
Formula: C22H25O10
Smiles:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(OC2CC(C[OH2+])C(O)C(O)C2O)=C1| HBA: | 10 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 449.43 | Num_heavy_atoms: | 32 |
| TPSA: | 182.97 | NumAromaticRings: | 1 |
