Glycoside
GD020337
Name:
NoneFormula:
C35H64O15N2Smiles:
CCCCCCCCCCCCCC=C[C@H](O)[C@H](N)CO[C@@H]1O[C@H](CO[C@@]2(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCC=CC(O)C(N)CO.COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.89 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 25 |
| MolWt: | 752.9 | Num_heavy_atoms: | 52 |
| TPSA: | 291.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD03931
Formula: C18H37O2N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(N)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 15 |
| MolWt: | 299.5 | Num_heavy_atoms: | 21 |
| TPSA: | 66.48 | NumAromaticRings: | 0 |
AD04680
Formula: C12H21O9N
Smiles:
COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.3 | Num_heavy_atoms: | 22 |
| TPSA: | 165.78 | NumAromaticRings: | 0 |