Glycoside
GD116576
Name:
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-methyl-5-({[(pent-4-en-1-yloxy)carbonyl]amino}methyl)-hexahydro-[1,3]dioxolo[4,5-b]pyran-2-carboxylic acidFormula:
C27H43O19NSmiles:
C=CCCCOC(O)=NCC1OC2OC(C)(C(=O)O)OC2C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
C=CCCCOC(O)=NCC1OC2OC(C)(C(=O)O)OC2C(O)C1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.85 |
| AlogP: | -4.81 | Num_rotatable_bonds: | 13 |
| MolWt: | 685.63 | Num_heavy_atoms: | 47 |
| TPSA: | 305.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD46317
Formula: C15H23O9N
Smiles:
C=CCCCOC(O)=NCC1OC2OC(C)(C(=O)O)OC2C(O)C1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 361.35 | Num_heavy_atoms: | 25 |
| TPSA: | 147.27 | NumAromaticRings: | 0 |
