Glycoside
GD017043
Name:
NoneFormula:
C34H27O10N5Smiles:
N#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:
N#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: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 665.62 | Num_heavy_atoms: | 49 |
| TPSA: | 233.76 | NumAromaticRings: | 6 |
Unique Aglycone
AD12210
Formula: C28H17O5N5
Smiles:
N#Cc1ccc(CNN2C(=O)c3c(c4c5ccc(O)cc5n(O)c4c4[nH]c5cc(O)ccc5c34)C2=O)cc1| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.04 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 503.47 | Num_heavy_atoms: | 38 |
| TPSA: | 154.61 | NumAromaticRings: | 6 |
