Glycoside
GD006031
Name:
NoneFormula:
C39H69O8N9Smiles:
CCCCCCCCCCCCCCCC(=O)NC[C@@H]1CC[C@@H]2[C@H](C(=O)N1CCCNC(=N)N)[C@H]([C@@H]1O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]1O)ON2CCCNAglycone:
CCCCCCCCCCCCCCCC(=O)NCC1CCC2C(CON2CCCN)C(=O)N1CCCNC(=N)N.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.82 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 25 |
| MolWt: | 792.04 | Num_heavy_atoms: | 56 |
| TPSA: | 254.35 | 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 |
AD05029
Formula: C31H61O3N7
Smiles:
CCCCCCCCCCCCCCCC(=O)NCC1CCC2C(CON2CCCN)C(=O)N1CCCNC(=N)N| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 23 |
| MolWt: | 579.88 | Num_heavy_atoms: | 41 |
| TPSA: | 149.8 | NumAromaticRings: | 0 |
