Glycoside

GD027984
Name:
NoneFormula:
C51H88O21N10Smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1OC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)CAglycone:
CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CO)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 31 | RingCount: | 3 |
HBD: | 17 | FractionCSP3: | 0.8 |
AlogP: | -6.75 | Num_rotatable_bonds: | 28 |
MolWt: | 1177.31 | Num_heavy_atoms: | 82 |
TPSA: | 474.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD18327
Formula: C37H65O11N9
Smiles:
CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CO)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)OHBA: | 20 | RingCount: | 1 |
HBD: | 11 | FractionCSP3: | 0.76 |
AlogP: | -2.54 | Num_rotatable_bonds: | 21 |
MolWt: | 811.98 | Num_heavy_atoms: | 57 |
TPSA: | 307.56 | NumAromaticRings: | 0 |