Glycoside
GD129595
Name:
NoneFormula:
C36H37O18NSmiles:
CCc1cc(C2CCC3(Oc4cc5oc(-c6ccc(O)c(O)c6)cc(=O)c5c(O)c42)OC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C3O)c[nH]1Aglycone:
CCc1cc(C2CCC3(Oc4cc5oc(-c6ccc(O)c(O)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)c[nH]1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.42 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 771.68 | Num_heavy_atoms: | 55 |
| TPSA: | 319.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD52498
Formula: C30H29O12N
Smiles:
CCc1cc(C2CCC3(Oc4cc5oc(-c6ccc(O)c(O)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)c[nH]1| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 595.56 | Num_heavy_atoms: | 43 |
| TPSA: | 223.14 | NumAromaticRings: | 4 |
