Glycoside
GD124550
Name:
NoneFormula:
C29H34O15Smiles:
CC(=O)OC1C(OCC2OC(OC3=Cc4c(O)cc(O)cc4[OH+]C3=C3C=C[C](O)C=C3)C(O)C(O)C2O)OC(C)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1Sugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 622.58 | Num_heavy_atoms: | 44 |
| TPSA: | 237.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD45378
Formula: C15H13O5
Smiles:
OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 273.26 | Num_heavy_atoms: | 20 |
| TPSA: | 93.72 | NumAromaticRings: | 1 |
