Glycoside
GD032459
Name:
NoneFormula:
C29H31O10N7Smiles:
COc1ccc2cc(-c3cn(CC(=O)N[C@H](CCC(=O)O)C(=O)NC[C@@H]4O[C@H](n5ccc(=O)[nH]c5=O)[C@H](O)[C@H]4O)nn3)ccc2c1Aglycone:
CNC(=O)C(CCC(=O)O)NC(=O)Cn1cc(-c2ccc3cc(OC)ccc3c2)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.34 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 12 |
| MolWt: | 637.61 | Num_heavy_atoms: | 46 |
| TPSA: | 239.99 | NumAromaticRings: | 4 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD20822
Formula: C21H23O5N5
Smiles:
CNC(=O)C(CCC(=O)O)NC(=O)Cn1cc(-c2ccc3cc(OC)ccc3c2)nn1| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 425.45 | Num_heavy_atoms: | 31 |
| TPSA: | 135.44 | NumAromaticRings: | 3 |
