Glycoside
GD030162
Name:
NoneFormula:
C37H45O18N3Smiles:
COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(CO[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O)nn3)[C@@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OCAglycone:
COc1cc(C2c3cc4c(cc3C(n3cc(CO)nn3)C3COC(=O)C23)OCO4)cc(OC)c1OCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 819.77 | Num_heavy_atoms: | 58 |
| TPSA: | 281.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD19532
Formula: C25H25O8N3
Smiles:
COc1cc(C2c3cc4c(cc3C(n3cc(CO)nn3)C3COC(=O)C23)OCO4)cc(OC)c1OC| HBA: | 11 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 495.49 | Num_heavy_atoms: | 36 |
| TPSA: | 123.39 | NumAromaticRings: | 3 |
