Glycoside
GD127500
Name:
2,3-dihydroxy-1-methoxy-7-methyl-1-[(2-oxoazepan-3-yl)carbamoyl]oct-5-en-4-yl hexadecanoateFormula:
C33H60O7N2Smiles:
CCCCCCCCCCCCCCCC(=O)OC(C=CC(C)C)C(O)C(O)C(OC)C(O)=NC1CCCCN=C1OAglycone:
C=CC(C)C.CCCCCCCCCCCCCCCC=O.NC1CCCCN=C1OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 6.79 | Num_rotatable_bonds: | 23 |
| MolWt: | 596.85 | Num_heavy_atoms: | 42 |
| 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 |
AD24599
Formula: C16H32O
Smiles:
CCCCCCCCCCCCCCCC=O| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.67 | Num_rotatable_bonds: | 14 |
| MolWt: | 240.43 | Num_heavy_atoms: | 17 |
| 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 |
