Glycoside
GD130678
Name:
7-hydroxy-2-methyl-5-({[(pent-4-en-1-yloxy)carbonyl]amino}methyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydro-[1,3]dioxolo[4,5-b]pyran-2-carboxylic acidFormula:
C21H33O14NSmiles:
C=CCCCOC(O)=NCC1OC2OC(C)(C(=O)O)OC2C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
C=CCCCOC(O)=NCC1OC2OC(C)(C(=O)O)OC2C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 523.49 | Num_heavy_atoms: | 36 |
| TPSA: | 226.42 | 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 |
