Glycoside
GD009018
Name:
NoneFormula:
C44H66O10N4Smiles:
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](n2cc(CNC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)nn2)OC[C@H]1OC(C)=OAglycone:
CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 811.03 | Num_heavy_atoms: | 58 |
| TPSA: | 188.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD06745
Formula: C33H51O3N4
Smiles:
CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 551.8 | Num_heavy_atoms: | 40 |
| TPSA: | 108.38 | NumAromaticRings: | 0 |
