Glycoside
GD006625
Name:
NEOSMITILBINFormula:
C21H22O11Smiles:
C[C@@H]1O[C@H](O[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2c2cc(O)cc(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1c2c(O)cc(O)cc2OC(c2cc(O)cc(O)c2)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD05469
Formula: C15H12O7
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2cc(O)cc(O)c2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
