Glycoside
GD031215
Name:
ETOPOSIDE GLUCURONIDEFormula:
C35H40O19Smiles:
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 764.69 | Num_heavy_atoms: | 54 |
| TPSA: | 257.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD20122
Formula: C29H32O13
Smiles:
COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O| HBA: | 13 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 588.56 | Num_heavy_atoms: | 42 |
| TPSA: | 160.83 | NumAromaticRings: | 2 |
