Glycoside
GD115233
Name:
8-Demethoxy-Steffimycin AFormula:
C27H28O12Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(OC1OC(C)C(O)C(O)C1OC)CC(C)(O)C3=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)CC(C)(O)C3=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.51 | Num_heavy_atoms: | 39 |
| TPSA: | 189.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD45543
Formula: C20H16O8
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)CC(C)(O)C3=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.34 | Num_heavy_atoms: | 28 |
| TPSA: | 141.36 | NumAromaticRings: | 2 |
