Glycoside
GD010754
Name:
NoneFormula:
C34H39O7N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)O)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCc2ccc(CCC(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 14 |
| MolWt: | 685.74 | Num_heavy_atoms: | 50 |
| TPSA: | 242.63 | NumAromaticRings: | 5 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD08260
Formula: C27H27O3N8
Smiles:
Nc1nc(NCCc2ccc(CCC(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O)cc2)nc2c1N=C[N]2| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 11 |
| MolWt: | 511.57 | Num_heavy_atoms: | 38 |
| TPSA: | 172.48 | NumAromaticRings: | 4 |
