Glycoside
GD008938
Name:
NoneFormula:
C39H62O6N4Smiles:
C[C@@H]1O[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)CC4)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 682.95 | Num_heavy_atoms: | 49 |
| TPSA: | 149.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD07073
Formula: C33H51O2N4
Smiles:
CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 535.8 | Num_heavy_atoms: | 39 |
| TPSA: | 88.15 | NumAromaticRings: | 0 |
