Glycoside
GD013462
Name:
NoneFormula:
C41H73O9N11Smiles:
CCCCCCCCCCCCCCC[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)NC[C@@H]1C[C@@H]2[C@H](C(=O)N1)[C@H]([C@@H]1O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]1O)ON2CCCNAglycone:
CCCCCCCCCCCCCCCC(NC(=O)C(N)CCCNC(=N)N)C(=O)NCC1CC2C(CON2CCCN)C(=O)N1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.8 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 28 |
| MolWt: | 864.1 | Num_heavy_atoms: | 61 |
| TPSA: | 318.26 | NumAromaticRings: | 1 |
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 |
AD10039
Formula: C33H65O4N9
Smiles:
CCCCCCCCCCCCCCCC(NC(=O)C(N)CCCNC(=N)N)C(=O)NCC1CC2C(CON2CCCN)C(=O)N1| HBA: | 13 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.88 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 26 |
| MolWt: | 651.94 | Num_heavy_atoms: | 46 |
| TPSA: | 213.71 | NumAromaticRings: | 0 |
