Glycoside
GD156638
Name:
6-amino-6-carbamoyl-2-[4-carbamoyl-4-(2-{2-[(3-acetamido-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]propanamido}propanamido)butanamido]hexanoic acidFormula:
C34H58O18N8Smiles:
CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(=O)O)C(=N)O)OC(CO)C(O)C1OAglycone:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(=O)O)C(=N)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 2 |
| HBD: | 17 | FractionCSP3: | 0.76 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 23 |
| MolWt: | 866.88 | Num_heavy_atoms: | 60 |
| TPSA: | 452.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD49372
Formula: C18H32O8N6
Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(=O)O)C(=N)O| HBA: | 14 | RingCount: | 0 |
| HBD: | 11 | FractionCSP3: | 0.67 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 15 |
| MolWt: | 460.49 | Num_heavy_atoms: | 32 |
| TPSA: | 269.48 | NumAromaticRings: | 0 |
