Glycoside
GD141710
Name:
RebeccamycinFormula:
C29H21O7N3Cl2Smiles:
COC1C(CO)OC(n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(O)=NC4=O)C(O)C1OAglycone:
O=C1N=C(O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 570.39 | Num_heavy_atoms: | 39 |
| TPSA: | 149.53 | NumAromaticRings: | 5 |
Unique Aglycone
AD55323
Formula: C22H9O2N3Cl2
Smiles:
O=C1N=C(O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 394.22 | Num_heavy_atoms: | 27 |
| TPSA: | 81.24 | NumAromaticRings: | 5 |
