Glycoside
GD001856
Name:
MASSONIANOSIDE BFormula:
C25H32O10Smiles:
COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C2Oc3c(O)cc(CCCO)cc3C2CO)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.52 | Num_heavy_atoms: | 35 |
| TPSA: | 158.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD01816
Formula: C19H22O6
Smiles:
COc1cc(C2Oc3c(O)cc(CCCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
