Glycoside
GD135180
Name:
2-({6-[(2-amino-3-hydroxyoctadec-4-en-1-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C30H57O12NSmiles:
CCCCCCCCCCCCCC=CC(O)C(N)COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CCCCCCCCCCCCCC=CC(O)C(N)COSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 21 |
| MolWt: | 623.78 | Num_heavy_atoms: | 43 |
| TPSA: | 224.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD03931
Formula: C18H37O2N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(N)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 15 |
| MolWt: | 299.5 | Num_heavy_atoms: | 21 |
| TPSA: | 66.48 | NumAromaticRings: | 0 |
