Glycoside
GD011851
Name:
HIDROSMINFormula:
C30H36O16Smiles:
COc1ccc(-c2cc(=O)c3c(OCCO)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1OAglycone:
COc1ccc(-c2cc(=O)c3c(OCCO)cc(O)cc3o2)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 652.6 | Num_heavy_atoms: | 46 |
| TPSA: | 247.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD08995
Formula: C18H16O7
Smiles:
COc1ccc(-c2cc(=O)c3c(OCCO)cc(O)cc3o2)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
