Glycoside
GD152393
Name:
Tomoroside BFormula:
C43H44O20Smiles:
O=C(C=Cc1ccc(O)cc1)c1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c(Cc2c(O)cc(OC3OC(CO)C(O)C(O)C3O)c(C(=O)C=Cc3ccc(O)cc3)c2O)c1OAglycone:
O=C(C=Cc1ccc(O)cc1)c1c(O)cc(O)c(Cc2c(O)cc(O)c(C(=O)C=Cc3ccc(O)cc3)c2O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.3 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 14 |
| MolWt: | 880.81 | Num_heavy_atoms: | 63 |
| TPSA: | 354.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD60681
Formula: C31H24O10
Smiles:
O=C(C=Cc1ccc(O)cc1)c1c(O)cc(O)c(Cc2c(O)cc(O)c(C(=O)C=Cc3ccc(O)cc3)c2O)c1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.03 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 556.52 | Num_heavy_atoms: | 41 |
| TPSA: | 195.98 | NumAromaticRings: | 4 |
