Glycoside
GD130865
Name:
NoneFormula:
C31H34O11N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=[O+])c1cc(CC(CCCO)c3ccc(N)nc3)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=[OH+])c1cc(CC(CCCO)c3ccc(N)nc3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 610.62 | Num_heavy_atoms: | 44 |
| TPSA: | 224.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD53029
Formula: C25H25O6N2
Smiles:
COc1cc(O)c2c(c1)C(=[OH+])c1cc(CC(CCCO)c3ccc(N)nc3)cc(O)c1C2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.48 | Num_heavy_atoms: | 33 |
| TPSA: | 147.3 | NumAromaticRings: | 3 |
