Glycoside
GD149079
Name:
NoneFormula:
C27H33O16Smiles:
CC1OC(OCC2OC(OC3=C(c4cc(O)c(O)c(O)c4)OC4C=C([OH2+])C=C(O)C4=C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=CC([OH2+])=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.48 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 613.55 | Num_heavy_atoms: | 43 |
| TPSA: | 271.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD45114
Formula: C15H13O7
Smiles:
OC1=CC([OH2+])=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 305.26 | Num_heavy_atoms: | 22 |
| TPSA: | 133.28 | NumAromaticRings: | 1 |
