Glycoside
GD012281
Name:
NoneFormula:
C46H69O13N7Smiles:
CCCCCCCCCCCCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCC(NC(=O)c1ccc2ccccc2n1)C(=O)NCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.65 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 29 |
| MolWt: | 928.09 | Num_heavy_atoms: | 66 |
| TPSA: | 309.91 | NumAromaticRings: | 3 |
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 |
AD09278
Formula: C33H52O5N4
Smiles:
CCCCCCCCCCCCCCCC(NC(=O)c1ccc2ccccc2n1)C(=O)NCCCNC(CO)C(=O)O| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 24 |
| MolWt: | 584.8 | Num_heavy_atoms: | 42 |
| TPSA: | 140.65 | NumAromaticRings: | 2 |
