Glycoside
GD126369
Name:
9-MethoxyrebeccamycinFormula:
C30H23O8N3Cl2Smiles:
COc1cc(Cl)c2c(c1)c1c3c(c4c5cccc(Cl)c5[nH]c4c1n2C1OC(CO)C(OC)C(O)C1O)C(O)=NC3=OAglycone:
COc1cc(Cl)c2[nH]c3c4[nH]c5c(Cl)cccc5c4c4c(c3c2c1)C(=O)N=C4OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 600.41 | Num_heavy_atoms: | 41 |
| TPSA: | 158.76 | NumAromaticRings: | 5 |
Unique Aglycone
AD51127
Formula: C23H11O3N3Cl2
Smiles:
COc1cc(Cl)c2[nH]c3c4[nH]c5c(Cl)cccc5c4c4c(c3c2c1)C(=O)N=C4O| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 5.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 424.24 | Num_heavy_atoms: | 29 |
| TPSA: | 90.47 | NumAromaticRings: | 5 |
