Glycoside
GD130532
Name:
sesuvioside fFormula:
C36H46O21Smiles:
COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)ccc1OSugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.58 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 814.74 | Num_heavy_atoms: | 57 |
| TPSA: | 315.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD51342
Formula: C18H16O8
Smiles:
COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
