Glycoside
GD141085
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-({[(2-{[(pent-4-en-1-yloxy)carbonyl]amino}ethyl)carbamoyl]oxy}methyl)-hexahydro-[1,3]dioxolo[4,5-b]pyran-2-carboxylic acidFormula:
C30H48O21N2Smiles:
C=CCCCOC(O)=NCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
C=CCCCOC(O)=NCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.83 |
| AlogP: | -4.87 | Num_rotatable_bonds: | 16 |
| MolWt: | 772.71 | Num_heavy_atoms: | 53 |
| TPSA: | 347.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD56864
Formula: C18H28O11N2
Smiles:
C=CCCCOC(O)=NCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1O| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 448.43 | Num_heavy_atoms: | 31 |
| TPSA: | 189.09 | NumAromaticRings: | 0 |
