Glycoside
GD011861
Name:
NoneFormula:
C33H29O7N4Smiles:
CN1C(=O)c2c(c3c4ccccc4n([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc[n+](Cc5ccccc5)cc4c23)C1=OAglycone:
CN1C(=O)c2c(c3c4c[n+](Cc5ccccc5)ccc4[nH]c3c3[nH]c4ccccc4c23)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 593.62 | Num_heavy_atoms: | 44 |
| TPSA: | 152.13 | NumAromaticRings: | 6 |
Unique Aglycone
AD06090
Formula: C27H19O2N4
Smiles:
CN1C(=O)c2c(c3c4c[n+](Cc5ccccc5)ccc4[nH]c3c3[nH]c4ccccc4c23)C1=O| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 431.48 | Num_heavy_atoms: | 33 |
| TPSA: | 72.84 | NumAromaticRings: | 6 |
