Glycoside
GD158081
Name:
2,3-dihydroxy-1-methoxy-7-methyl-1-[(2-oxoazepan-3-yl)carbamoyl]oct-5-en-4-yl tetradecanoateFormula:
C31H56O7N2Smiles:
CCCCCCCCCCCCCC(=O)OC(C=CC(C)C)C(O)C(O)C(OC)C(O)=NC1CCCCN=C1OAglycone:
C=CC(C)C.CCCCCCCCCCCCCC=O.NC1CCCCN=C1OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 6.01 | Num_rotatable_bonds: | 21 |
| MolWt: | 568.8 | Num_heavy_atoms: | 40 |
| TPSA: | 141.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD00557
Formula: C5H10
Smiles:
C=CC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 70.13 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD03011
Formula: C14H28O
Smiles:
CCCCCCCCCCCCCC=O| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.93 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 12 |
| MolWt: | 212.38 | Num_heavy_atoms: | 15 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
AD45740
Formula: C6H12ON2
Smiles:
NC1CCCCN=C1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.18 | Num_heavy_atoms: | 9 |
| TPSA: | 58.61 | NumAromaticRings: | 0 |
