Glycoside

GD030183
Name:
NoneFormula:
C29H53O12N7SSmiles:
CC(=O)CC(=O)NCC(C)(C)[C@H](O)C(=O)NCCC(=O)NCCSCC(=O)NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
CNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)CNC(=O)CC(C)=O.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 19 | RingCount: | 2 |
HBD: | 15 | FractionCSP3: | 0.83 |
AlogP: | -6.12 | Num_rotatable_bonds: | 18 |
MolWt: | 723.85 | Num_heavy_atoms: | 49 |
TPSA: | 331.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1OHBA: | 5 | RingCount: | 1 |
HBD: | 7 | FractionCSP3: | 1.0 |
AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
MolWt: | 162.19 | Num_heavy_atoms: | 11 |
TPSA: | 112.73 | NumAromaticRings: | 0 |
AD19545
Formula: C18H32O6N4S
Smiles:
CNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)CNC(=O)CC(C)=OHBA: | 10 | RingCount: | 0 |
HBD: | 5 | FractionCSP3: | 0.72 |
AlogP: | -1.43 | Num_rotatable_bonds: | 14 |
MolWt: | 432.54 | Num_heavy_atoms: | 29 |
TPSA: | 153.7 | NumAromaticRings: | 0 |