Glycoside
GD011613
Name:
NoneFormula:
C27H34O5N2Smiles:
COC[C@@H]1OC(OCc2ccc3ccccc3c2)[C@H](NCCN)C(OCc2ccccc2)[C@H]1OAglycone:
OCc1ccc2ccccc2c1.OCc1ccccc1Sugarmoiety:
COCC1OC(O)C(NCCN)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 466.58 | Num_heavy_atoms: | 34 |
| TPSA: | 95.2 | NumAromaticRings: | 3 |
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 |
AD01045
Formula: C11H10O
Smiles:
OCc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
