Glycoside
GD116157
Name:
NoneFormula:
C56H99O13NSmiles:
CCCCCCCCCCCCCC=CC(OC(C)=O)C(COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)N=C(O)CCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(OC(C)=O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCC.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 13.42 | Num_rotatable_bonds: | 44 |
| MolWt: | 994.4 | Num_heavy_atoms: | 70 |
| TPSA: | 182.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD46082
Formula: C42H81O4N
Smiles:
CCCCCCCCCCCCCC=CC(OC(C)=O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 13.31 | Num_rotatable_bonds: | 37 |
| MolWt: | 664.11 | Num_heavy_atoms: | 47 |
| TPSA: | 79.12 | NumAromaticRings: | 0 |
