Glycoside
GD150036
Name:
NoneFormula:
C39H41O21Smiles:
O=C(O)CC(=O)OCC1OC(Oc2cc(O)cc3c2C=C(OC2OC(COC(O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C2O)C(=C2C=CC(=[OH+])C=C2)O3)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)O.COC(O)C=Cc1ccc(O)c(O)c1.OC1=Cc2c(O)cc(O)cc2OC1=C1C=CC(=[OH+])C=C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.36 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 13 |
| MolWt: | 845.74 | Num_heavy_atoms: | 60 |
| TPSA: | 342.68 | NumAromaticRings: | 2 |
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 |
AD50821
Formula: C10H12O4
Smiles:
COC(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
AD59960
Formula: C15H11O5
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1=C1C=CC(=[OH+])C=C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 271.25 | Num_heavy_atoms: | 20 |
| TPSA: | 91.32 | NumAromaticRings: | 1 |
