Glycoside
GD020077
Name:
NoneFormula:
C46H52O8N5ISmiles:
CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@H](CCC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O)[C@H]4C)c(C)c3C(C)OCc1cccc(I)c1Aglycone:
CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)C(CCC(N)=O)C4C)c(C)c3C(C)OCc1cccc(I)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | 6.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 929.85 | Num_heavy_atoms: | 60 |
| TPSA: | 202.91 | NumAromaticRings: | 4 |
Unique Aglycone
AD06877
Formula: C40H42O3N5I
Smiles:
CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)C(CCC(N)=O)C4C)c(C)c3C(C)OCc1cccc(I)c1| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 9.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 767.71 | Num_heavy_atoms: | 49 |
| TPSA: | 126.75 | NumAromaticRings: | 4 |
