Glycoside
GD132628
Name:
C-1027 Chromophore-VFormula:
C45H43O13N3Cl2Smiles:
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4c5ccc3c(Cl)c5C3=CC=CC34OC3OC(C)(C)C(N(C)C)C(O)C3O)c2N=C1OAglycone:
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4c5ccc3c(Cl)c5C3=CC=CC34O)c2N=C1OSugarmoiety:
CN(C)C1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 16 | RingCount: | 11 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 880.73 | Num_heavy_atoms: | 61 |
| TPSA: | 221.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD53698
Formula: C36H26O10N2Cl2
Smiles:
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4c5ccc3c(Cl)c5C3=CC=CC34O)c2N=C1O| HBA: | 12 | RingCount: | 10 |
| HBD: | 5 | FractionCSP3: | 0.21 |
| AlogP: | 5.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 693.49 | Num_heavy_atoms: | 48 |
| TPSA: | 179.36 | NumAromaticRings: | 3 |
