Glycoside
...
GD027551

Name:
None

Formula:
C46H74O18N2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](NC(=O)CCCOc3ccc([N+](=O)[O-])cc3OC)[C@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(NC(=O)CCCOc3ccc([N+](=O)[O-])cc3OC)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 6 FractionCSP3: 0.8
AlogP: 3.12 Num_rotatable_bonds: 14
MolWt: 943.09 Num_heavy_atoms: 66
TPSA: 281.37 NumAromaticRings: 1

Unique Aglycone
AD18097
Formula: C38H60O15N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(NC(=O)CCCOc3ccc([N+](=O)[O-])cc3OC)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 17 RingCount: 3
HBD: 6 FractionCSP3: 0.76
AlogP: 2.19 Num_rotatable_bonds: 11
MolWt: 784.9 Num_heavy_atoms: 55
TPSA: 253.68 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O