Glycoside
GD123624
Name:
2-amino-6-[4-carboxy-4-(2-{2-[(3-acetamido-6-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,5-dihydroxyoxan-4-yl)oxy]propanamido}propanamido)butanamido]heptanedioic acidFormula:
C33H54O20N6Smiles:
CC(O)=NC1C(OC2OC(O)C(N=C(C)O)C(OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(=O)O)C(=O)O)C2O)OC(CO)C(O)C1OAglycone:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(=O)O)C(=O)OSugarmoiety:
CC(O)=NC1C(O)OC(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 2 |
| HBD: | 15 | FractionCSP3: | 0.76 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 22 |
| MolWt: | 854.82 | Num_heavy_atoms: | 59 |
| TPSA: | 438.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD49906
Formula: C18H30O10N4
Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(=O)O)C(=O)O| HBA: | 14 | RingCount: | 0 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 462.46 | Num_heavy_atoms: | 32 |
| TPSA: | 255.92 | NumAromaticRings: | 0 |
