Glycoside
GD089247
Name:
NoneFormula:
C21H27O6N5Smiles:
O=c1[nH]c(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
O=C(Nc1nc2c(c(=O)[nH]1)N=C[N]2)C12CC3CC(CC(C3)C1)C2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 445.48 | Num_heavy_atoms: | 32 |
| TPSA: | 162.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD38927
Formula: C16H18O2N5
Smiles:
O=C(Nc1nc2c(c(=O)[nH]1)N=C[N]2)C12CC3CC(CC(C3)C1)C2| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.35 | Num_heavy_atoms: | 23 |
| TPSA: | 101.31 | NumAromaticRings: | 1 |
