Glycoside
GD102152
Name:
NoneFormula:
C22H29O6N5Smiles:
O=C(C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2[nH]c(=O)[nH]c12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 459.5 | Num_heavy_atoms: | 33 |
| TPSA: | 162.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD43230
Formula: C17H21O2N5
Smiles:
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2[nH]c(=O)[nH]c12| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.39 | Num_heavy_atoms: | 24 |
| TPSA: | 103.53 | NumAromaticRings: | 2 |
