Glycoside
GD142015
Name:
NoneFormula:
C30H35O15Smiles:
CC1=CC2=C3C(=CC([OH2+])=CC3O1)OC(c1ccc(O)c(O)c1)=C2OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1=CC2=C3C(=CC([OH2+])=CC3O1)OC(c1ccc(O)c(O)c1)=C2OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.47 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 635.6 | Num_heavy_atoms: | 45 |
| TPSA: | 240.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD57170
Formula: C18H15O6
Smiles:
CC1=CC2=C3C(=CC([OH2+])=CC3O1)OC(c1ccc(O)c(O)c1)=C2O| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.11 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 327.31 | Num_heavy_atoms: | 24 |
| TPSA: | 102.05 | NumAromaticRings: | 1 |
