Glycoside
GD002532
Name:
NoneFormula:
C29H50O11N4Smiles:
CCCCCCCCCCCCN[C@H](C(=O)O)[C@H](C[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCNC(C(=O)O)C(C)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 20 |
| MolWt: | 630.74 | Num_heavy_atoms: | 44 |
| TPSA: | 238.82 | 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 |
AD02408
Formula: C16H33O3N
Smiles:
CCCCCCCCCCCCNC(C(=O)O)C(C)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 287.44 | Num_heavy_atoms: | 20 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
