Glycoside
GD012272
Name:
NoneFormula:
C43H52O6N2Smiles:
OCCCCCCNCC1OC(OCCc2cc3ccccc3[nH]2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1Aglycone:
CNCCCCCCO.OCCc1cc2ccccc2[nH]1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCCCCCOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 7.35 | Num_rotatable_bonds: | 21 |
| MolWt: | 692.9 | Num_heavy_atoms: | 51 |
| TPSA: | 94.2 | 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 |
AD00948
Formula: C10H11ON
Smiles:
OCCc1cc2ccccc2[nH]1| 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 |
AD09268
Formula: C7H17ON
Smiles:
CNCCCCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 131.22 | Num_heavy_atoms: | 9 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
