Glycoside
GD124199
Name:
XanthochymussideFormula:
C36H32O17Smiles:
O=C1c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)c(C3C(=O)c4c(O)cc(O)cc4OC3c3ccc(O)cc3)c2OC(c2ccc(O)c(O)c2)C1OAglycone:
O=C1c2c(O)cc(O)c(C3C(=O)c4c(O)cc(O)cc4OC3c3ccc(O)cc3)c2OC(c2ccc(O)c(O)c2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.28 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 736.64 | Num_heavy_atoms: | 53 |
| TPSA: | 293.59 | NumAromaticRings: | 4 |
Unique Aglycone
AD50157
Formula: C30H22O12
Smiles:
O=C1c2c(O)cc(O)c(C3C(=O)c4c(O)cc(O)cc4OC3c3ccc(O)cc3)c2OC(c2ccc(O)c(O)c2)C1O| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.13 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 574.49 | Num_heavy_atoms: | 42 |
| TPSA: | 214.44 | NumAromaticRings: | 4 |
