Glycoside
GD037695
Name:
trioxacarcin a analogue, bound formFormula:
C33H40O14Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)[C@H]1O[C@]3(C(OC)OC)O[C@H]1[C@](O[C@@H]1C[C@@H](O)[C@@](O)(C(C)=O)[C@@H](C)O1)(O4)[C@]3(C)O)C(=O)CCC2Aglycone:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C3(C)O)C(=O)CCC2Sugarmoiety:
CC(=O)C1(O)C(O)CC(O)OC1COther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 660.67 | Num_heavy_atoms: | 47 |
| TPSA: | 188.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD23699
Formula: C25H28O10
Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C3(C)O)C(=O)CCC2| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.49 | Num_heavy_atoms: | 35 |
| TPSA: | 133.14 | NumAromaticRings: | 2 |
