Glycoside
GD030999
Name:
NoneFormula:
C31H56O7N2Smiles:
CCCCCCCCCCCCCOC(=O)[C@H](C=CC(C)C)[C@H](O)[C@H](O)[C@H](OC)C(=O)NC1CCCCNC1=OAglycone:
CCCCCCCCCCCCCOC(=O)CC=CC(C)C.NC1CCCCNC1=OSugarmoiety:
COC(C(=O)O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 21 |
| MolWt: | 568.8 | Num_heavy_atoms: | 40 |
| TPSA: | 134.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD03493
Formula: C6H12ON2
Smiles:
NC1CCCCNC1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.18 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
AD20022
Formula: C20H38O2
Smiles:
CCCCCCCCCCCCCOC(=O)CC=CC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.85 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 15 |
| MolWt: | 310.52 | Num_heavy_atoms: | 22 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
