Glycoside
GD032100
Name:
NoneFormula:
C34H30O10N4Smiles:
Cc1ccc(CNN2C(=O)c3c(c4c5ccc(O)cc5n(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c4c4[nH]c5cc(O)ccc5c34)C2=O)cc1Aglycone:
Cc1ccc(CNN2C(=O)c3c(c4c5ccc(O)cc5n(O)c4c4[nH]c5cc(O)ccc5c34)C2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 654.63 | Num_heavy_atoms: | 48 |
| TPSA: | 209.97 | NumAromaticRings: | 6 |
Unique Aglycone
AD20616
Formula: C28H20O5N4
Smiles:
Cc1ccc(CNN2C(=O)c3c(c4c5ccc(O)cc5n(O)c4c4[nH]c5cc(O)ccc5c34)C2=O)cc1| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 492.49 | Num_heavy_atoms: | 37 |
| TPSA: | 130.82 | NumAromaticRings: | 6 |
