Glycoside
GD158397
Name:
NoneFormula:
C35H34O11N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=[O+])c1cc(CCc3ccc(N)nc3)c(Cc3cccc(O)c3)c(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=[OH+])c1cc(CCc3ccc(N)nc3)c(Cc3cccc(O)c3)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 658.66 | Num_heavy_atoms: | 48 |
| TPSA: | 224.95 | NumAromaticRings: | 4 |
Unique Aglycone
AD62531
Formula: C29H25O6N2
Smiles:
COc1cc(O)c2c(c1)C(=[OH+])c1cc(CCc3ccc(N)nc3)c(Cc3cccc(O)c3)c(O)c1C2=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.14 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 497.53 | Num_heavy_atoms: | 37 |
| TPSA: | 147.3 | NumAromaticRings: | 4 |
