Glycoside
GD148732
Name:
NoneFormula:
C24H22O15Smiles:
O=C(O)CC(=O)OCC1OC(Oc2cc3c(O)cc(=O)cc-3oc2-c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)O.O=c1cc2oc(-c3cc(O)c(O)c(O)c3)c(O)cc-2c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 550.43 | Num_heavy_atoms: | 39 |
| TPSA: | 253.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD59509
Formula: C15H10O7
Smiles:
O=c1cc2oc(-c3cc(O)c(O)c(O)c3)c(O)cc-2c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 1 |
