Glycoside
GD155200
Name:
NoneFormula:
C36H39O20NSmiles:
CCc1cc(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)(O)C(O)C4O)C(O)C(O)C3O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)c[nH]1Aglycone:
CCc1cc(Cc2c(O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)c[nH]1Sugarmoiety:
O=C(OC1OC(C(=O)O)C(O)(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.42 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 11 |
| MolWt: | 805.7 | Num_heavy_atoms: | 57 |
| TPSA: | 359.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD59874
Formula: C24H23O7N
Smiles:
CCc1cc(Cc2c(O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)c[nH]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.21 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 437.45 | Num_heavy_atoms: | 32 |
| TPSA: | 147.15 | NumAromaticRings: | 4 |
