Glycoside
GD140330
Name:
{6-[(26-{[5-(dimethylamino)pentyl]carbamoyl}-7-hydroxy-14-oxohexacosan-6-yl)oxy]-3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl}methyl acetateFormula:
C54H100O20N2Smiles:
CCCCCC(OC1OC(COC(C)=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCCN(C)CAglycone:
CCCCCC(O)C(O)CCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCCN(C)C.COC(C)=OSugarmoiety:
OCC1OC(OC2C(O)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 41 |
| MolWt: | 1097.39 | Num_heavy_atoms: | 76 |
| TPSA: | 336.88 | 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 |
AD56584
Formula: C34H68O4N2
Smiles:
CCCCCC(O)C(O)CCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCCN(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 8.57 | Num_rotatable_bonds: | 31 |
| MolWt: | 568.93 | Num_heavy_atoms: | 40 |
| TPSA: | 93.36 | NumAromaticRings: | 0 |
