Glycoside
GD140500
Name:
NoneFormula:
C29H33O10NSmiles:
COc1ccc(-c2coc3cc(OC4OC(COC(=O)CC5CCNCC5)C(O)C(O)C4O)ccc3c2=O)cc1Aglycone:
COC(=O)CC1CCNCC1.COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 555.58 | Num_heavy_atoms: | 40 |
| TPSA: | 156.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD08007
Formula: C16H12O4
Smiles:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 59.67 | NumAromaticRings: | 3 |
AD56650
Formula: C8H15O2N
Smiles:
COC(=O)CC1CCNCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 157.21 | Num_heavy_atoms: | 11 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
