Glycoside
GD143813
Name:
NoneFormula:
C28H28O10N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=[O+])c1cc(CCc3ccc(N)nc3)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=[OH+])c1cc(CCc3ccc(N)nc3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.54 | Num_heavy_atoms: | 40 |
| TPSA: | 204.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD57821
Formula: C22H19O5N2
Smiles:
COc1cc(O)c2c(c1)C(=[OH+])c1cc(CCc3ccc(N)nc3)cc(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 391.4 | Num_heavy_atoms: | 29 |
| TPSA: | 127.07 | NumAromaticRings: | 3 |
