Glycoside
GD000339
Name:
NoneFormula:
C23H36O14N6Smiles:
CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H]1OC(n2cc(CO)c(=O)[nH]c2=O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)COC(N)=OAglycone:
CC(C)CC(N)C(=O)NC(C(=O)NCC(=O)O)C(O)C(O)COC(N)=O.O=c1[nH]cc(CO)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.65 |
| AlogP: | -6.11 | Num_rotatable_bonds: | 14 |
| MolWt: | 620.57 | Num_heavy_atoms: | 43 |
| TPSA: | 339.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD00385
Formula: C14H26O8N4
Smiles:
CC(C)CC(N)C(=O)NC(C(=O)NCC(=O)O)C(O)C(O)COC(N)=O| HBA: | 12 | RingCount: | 0 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -3.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 378.38 | Num_heavy_atoms: | 26 |
| TPSA: | 214.3 | NumAromaticRings: | 0 |
AD00386
Formula: C5H6O3N2
Smiles:
O=c1[nH]cc(CO)c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 85.95 | NumAromaticRings: | 1 |
