Glycoside
GD107231
Name:
5-Methoxypodophyllotoxin-4-Beta-D-GlucosideFormula:
C28H32O13Smiles:
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OCAglycone:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.55 | Num_heavy_atoms: | 41 |
| TPSA: | 171.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD02190
Formula: C22H22O8
Smiles:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.41 | Num_heavy_atoms: | 30 |
| TPSA: | 92.68 | NumAromaticRings: | 2 |
