Glycoside
GD002161
Name:
NoneFormula:
C42H60O9N4Smiles:
CC(=O)O[C@@H]1[C@@H](OC(C)=O)C(n2cc(CN3C[C@H](C)C[C@@H]4O[C@]5(CC[C@@H]6C(=C5C)C[C@@H]5[C@H]6CC=C6C[C@H](O)CC[C@]65C)[C@H](C)[C@H]43)nn2)O[C@@H](C)[C@H]1OC(C)=OAglycone:
CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CN(CC3=C[N]N=N3)C1C2CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 764.96 | Num_heavy_atoms: | 55 |
| TPSA: | 151.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD02091
Formula: C30H43O2N4
Smiles:
CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CN(CC3=C[N]N=N3)C1C2C| HBA: | 6 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 5.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 491.7 | Num_heavy_atoms: | 36 |
| TPSA: | 71.52 | NumAromaticRings: | 0 |
