Glycoside
GD012277
Name:
BILIVERDIN DIGLUCOSAMINEFormula:
C45H56O14N6Smiles:
C=CC1=C(C)C(=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)N[C@@H]3C(O)O[C@H](CO)[C@H](O)[C@H]3O)C(CCC(=O)N[C@@H]3C(O)O[C@H](CO)[C@H](O)[C@H]3O)=C2C)NC1=OAglycone:
C=CC1=C(C)C(=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(N)=O)C(CCC(N)=O)=C2C)NC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.44 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 15 |
| MolWt: | 904.97 | Num_heavy_atoms: | 65 |
| TPSA: | 324.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD09274
Formula: C33H36O4N6
Smiles:
C=CC1=C(C)C(=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(N)=O)C(CCC(N)=O)=C2C)NC1=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 580.69 | Num_heavy_atoms: | 43 |
| TPSA: | 172.53 | NumAromaticRings: | 1 |
