Glycoside

GD018098
Name:
NoneFormula:
C57H88O18N6Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@H](OC(=O)NCc2ccc(OC)cc2)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCc2ccc(OC)cc2)C1(C)O.O=C(O)NNC(=O)C=Cc1ccc([N+](=O)[O-])cc1Sugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 24 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.68 |
AlogP: | 5.23 | Num_rotatable_bonds: | 15 |
MolWt: | 1145.35 | Num_heavy_atoms: | 81 |
TPSA: | 297.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD01291
Formula: C39H67O11N3
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCc2ccc(OC)cc2)C1(C)OHBA: | 14 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.79 |
AlogP: | 2.92 | Num_rotatable_bonds: | 8 |
MolWt: | 753.98 | Num_heavy_atoms: | 53 |
TPSA: | 179.72 | NumAromaticRings: | 1 |
AD12824
Formula: C10H9O5N3
Smiles:
O=C(O)NNC(=O)C=Cc1ccc([N+](=O)[O-])cc1HBA: | 8 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | 0.91 | Num_rotatable_bonds: | 3 |
MolWt: | 251.2 | Num_heavy_atoms: | 18 |
TPSA: | 121.57 | NumAromaticRings: | 1 |