Glycoside
GD156984
Name:
NoneFormula:
C30H35O11NSmiles:
COc1ccc(-c2coc3cc(OC4OC(COC(=O)CC5CCNCC5)C(O)C(O)C4O)c(OC)cc3c2=O)cc1Aglycone:
COC(=O)CC1CCNCC1.COc1ccc(-c2coc3cc(O)c(OC)cc3c2=O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 585.61 | Num_heavy_atoms: | 42 |
| TPSA: | 166.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD14540
Formula: C17H14O5
Smiles:
COc1ccc(-c2coc3cc(O)c(OC)cc3c2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | 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 |
