Glycoside
GD141638
Name:
NoneFormula:
C42H49O24Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2=C(c3ccc(O)c(O)c3)OC3C=C(O)C=C(OC4OC(C[OH2+])C(O)C(O)C4O)C3=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.45 |
| AlogP: | -3.7 | Num_rotatable_bonds: | 13 |
| MolWt: | 937.83 | Num_heavy_atoms: | 66 |
| TPSA: | 397.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD44954
Formula: C15H12O6
Smiles:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 1 |
