Glycoside
GD124205
Name:
Benanomicin AFormula:
C39H41O19NSmiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(C)C(=O)O)c1O)C(OC1OC(C)C(O)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(C)C(=O)O)c1O)C(O)C3O)C2=OSugarmoiety:
CC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 827.75 | Num_heavy_atoms: | 59 |
| TPSA: | 332.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD48178
Formula: C28H23O11N
Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(C)C(=O)O)c1O)C(O)C3O)C2=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.21 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 549.49 | Num_heavy_atoms: | 40 |
| TPSA: | 214.41 | NumAromaticRings: | 3 |
