Glycoside
GD143016
Name:
C-1027 Chromophore-IiiFormula:
C43H42O13N3ClSmiles:
C=C1Oc2cc(OC)cc(C(=O)OC3OC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4c5ccc3cc5C3=CC=CC34OC3OC(C)(C)C(N(C)C)C(O)C3O)c2N=C1OAglycone:
C=C1Oc2cc(OC)cc(C(=O)OC3OC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4c5ccc3cc5C3=CC=CC34O)c2N=C1OSugarmoiety:
CN(C)C1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 16 | RingCount: | 11 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 4.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 832.26 | Num_heavy_atoms: | 59 |
| TPSA: | 221.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD57533
Formula: C34H25O10N2Cl
Smiles:
C=C1Oc2cc(OC)cc(C(=O)OC3OC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4c5ccc3cc5C3=CC=CC34O)c2N=C1O| HBA: | 12 | RingCount: | 10 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 645.02 | Num_heavy_atoms: | 46 |
| TPSA: | 179.36 | NumAromaticRings: | 3 |
