Glycoside
GD003093
Name:
NoneFormula:
C42H51O5N3Smiles:
NCCCCCNC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
CNCCCCCN.OCCc1c[nH]c2ccccc12.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 6.93 | Num_rotatable_bonds: | 20 |
| MolWt: | 677.89 | Num_heavy_atoms: | 50 |
| TPSA: | 99.99 | NumAromaticRings: | 5 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00863
Formula: C10H11ON
Smiles:
OCCc1c[nH]c2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 36.02 | NumAromaticRings: | 2 |
AD02849
Formula: C6H16N2
Smiles:
CNCCCCCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 116.21 | Num_heavy_atoms: | 8 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
