Glycoside
GD153558
Name:
NoneFormula:
C31H38O10N2Smiles:
O=c1c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)coc2c(CN3CCCC3)c(O)c(CN3CCCC3)c(O)c12Aglycone:
O=c1c(-c2ccc(O)cc2)coc2c(CN3CCCC3)c(O)c(CN3CCCC3)c(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 598.65 | Num_heavy_atoms: | 43 |
| TPSA: | 176.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD61055
Formula: C25H28O5N2
Smiles:
O=c1c(-c2ccc(O)cc2)coc2c(CN3CCCC3)c(O)c(CN3CCCC3)c(O)c12| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.51 | Num_heavy_atoms: | 32 |
| TPSA: | 97.38 | NumAromaticRings: | 3 |
