Glycoside
GD134471
Name:
2-Demethylsteffimycin DFormula:
C27H30O12Smiles:
COC1C(OC2c3c(cc4c(c3O)C(=O)c3c(O)cc(O)cc3C4=O)CC(C)(O)C2OC)OC(C)C(O)C1OAglycone:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)CC1(C)OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.53 | Num_heavy_atoms: | 39 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD54398
Formula: C20H18O8
Smiles:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)CC1(C)O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 144.52 | NumAromaticRings: | 2 |
