Glycoside
GD022401
Name:
4-Demethyl-Deoxypodophyllotoxin-4-O-Beta-D-GlucopyranosideFormula:
C27H30O12Smiles:
COc1cc([C@@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C2c3cc4c(cc3CC3COC(=O)C32)OCO4)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.53 | Num_heavy_atoms: | 39 |
| TPSA: | 162.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD15189
Formula: C21H20O7
Smiles:
COc1cc(C2c3cc4c(cc3CC3COC(=O)C32)OCO4)cc(OC)c1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
