Glycoside
GD132671
Name:
24-{[6-(acetyloxy)-5-hydroxy-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-N-[4-(ethylamino)butyl]-23-hydroxy-15-oxononacosanimidic acidFormula:
C54H100O20N2Smiles:
CCCCCC(OC1OC(OC(C)=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCC(=O)CCCCCCCCCCCCCC(O)=NCCCCNCCAglycone:
CCCCCC(O)C(O)CCCCCCCC(=O)CCCCCCCCCCCCCC(O)=NCCCCNCCSugarmoiety:
CC(=O)OC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 42 |
| MolWt: | 1097.39 | Num_heavy_atoms: | 76 |
| TPSA: | 345.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD53715
Formula: C35H70O4N2
Smiles:
CCCCCC(O)C(O)CCCCCCCC(=O)CCCCCCCCCCCCCC(O)=NCCCCNCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 9.01 | Num_rotatable_bonds: | 33 |
| MolWt: | 582.96 | Num_heavy_atoms: | 41 |
| TPSA: | 102.15 | NumAromaticRings: | 0 |
