Glycoside
GD145628
Name:
NoneFormula:
C34H35O19NSmiles:
CCc1cc(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)(O)C(O)C4O)C(O)C(O)C3O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)c[nH]1Aglycone:
CCc1cc(Cc2c(O)cc3oc(-c4ccc(O)c(O)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: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 761.64 | Num_heavy_atoms: | 54 |
| TPSA: | 339.59 | NumAromaticRings: | 4 |
Unique Aglycone
AD51518
Formula: C22H19O6N
Smiles:
CCc1cc(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)c[nH]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.4 | Num_heavy_atoms: | 29 |
| TPSA: | 126.92 | NumAromaticRings: | 4 |
