Glycoside
GD018716
Name:
NoneFormula:
C48H74O15N2Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(=O)NCCc3ccccc3)[C@H](N(C)C)[C@H]2O)[C@H](CC=O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO.O=C(O)NCCc1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 15 |
| MolWt: | 919.12 | Num_heavy_atoms: | 65 |
| TPSA: | 218.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD01623
Formula: C23H36O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.53 | Num_heavy_atoms: | 30 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
AD12040
Formula: C9H11O2N
Smiles:
O=C(O)NCCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
