Glycoside
GD115058
Name:
NoneFormula:
C76H101O29N16BrSmiles:
CC(C=Cc1ccccc1)=CC(O)C1CC(O)=NC(CO)C(O)=NC2CN3C=C(CC(N=C(O)CC(O)CC(C(=O)O)N=C(O)C(O)CN=C(O)C(C(C)c4ccc(Br)cc4)N=C(O)C(C(O)C(=N)O)N=C(O)C(CC(=N)O)N=C2O)C(O)=NC(C(C)O)C(O)=NC(CO)C(O)=NC(Cc2ccccc2)C(O)=N1)N(OC1OC(CO)C(O)C(O)C1O)C3Aglycone:
CC(C=Cc1ccccc1)=CC(O)C1CC(O)=NC(CO)C(O)=NC2CN3C=C(CC(N=C(O)CC(O)CC(C(=O)O)N=C(O)C(O)CN=C(O)C(C(C)c4ccc(Br)cc4)N=C(O)C(C(O)C(=N)O)N=C(O)C(CC(=N)O)N=C2O)C(O)=NC(C(C)O)C(O)=NC(CO)C(O)=NC(Cc2ccccc2)C(O)=N1)N(O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 45 | RingCount: | 7 |
| HBD: | 28 | FractionCSP3: | 0.49 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 19 |
| MolWt: | 1782.63 | Num_heavy_atoms: | 122 |
| TPSA: | 764.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD45448
Formula: C70H91O24N16Br
Smiles:
CC(C=Cc1ccccc1)=CC(O)C1CC(O)=NC(CO)C(O)=NC2CN3C=C(CC(N=C(O)CC(O)CC(C(=O)O)N=C(O)C(O)CN=C(O)C(C(C)c4ccc(Br)cc4)N=C(O)C(C(O)C(=N)O)N=C(O)C(CC(=N)O)N=C2O)C(O)=NC(C(C)O)C(O)=NC(CO)C(O)=NC(Cc2ccccc2)C(O)=N1)N(O)C3| HBA: | 40 | RingCount: | 6 |
| HBD: | 25 | FractionCSP3: | 0.44 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 16 |
| MolWt: | 1620.49 | Num_heavy_atoms: | 111 |
| TPSA: | 684.86 | NumAromaticRings: | 3 |
