Glycoside
GD126060
Name:
NoneFormula:
C27H32O15Smiles:
OCC1OC(OC2C(OC3=C(c4ccc(O)c(O)c4)[OH+][C]4C=C(O)C=CC4=C3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=CC2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C2C=C1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 252.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD50988
Formula: C15H13O5
Smiles:
OC1=CC2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C2C=C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.26 | Num_heavy_atoms: | 20 |
| TPSA: | 93.72 | NumAromaticRings: | 1 |
