Glycoside

GD021903
Name:
NoneFormula:
C37H59O20N7Smiles:
CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H]3CO[C@H](O3)[C@H](NC(C)=O)[C@H]2O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)N[C@H](CCC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)O)C(=O)O)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(=O)NC1C2OCC(O2)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(N)C(=O)O)C(=O)NC(C)C(=O)O)C(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
HBA: | 27 | RingCount: | 3 |
HBD: | 14 | FractionCSP3: | 0.76 |
AlogP: | -6.14 | Num_rotatable_bonds: | 24 |
MolWt: | 921.91 | Num_heavy_atoms: | 64 |
TPSA: | 419.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD14904
Formula: C29H46O15N6
Smiles:
CC(=O)NC1C2OCC(O2)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(N)C(=O)O)C(=O)NC(C)C(=O)O)C(=O)OHBA: | 21 | RingCount: | 2 |
HBD: | 11 | FractionCSP3: | 0.72 |
AlogP: | -4.11 | Num_rotatable_bonds: | 20 |
MolWt: | 718.71 | Num_heavy_atoms: | 50 |
TPSA: | 331.34 | NumAromaticRings: | 0 |