Glycoside
GD023750
Name:
NoneFormula:
C39H62O7N4Smiles:
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)C[C@H]4O)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 698.95 | Num_heavy_atoms: | 50 |
| TPSA: | 170.19 | 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 |
