Glycoside
...
GD005006

Name:
None

Formula:
C55H83O20N3

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)C(Cc3ccc(O)cc3)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)C(Cc3ccc(O)cc3)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: 23 RingCount: 5
HBD: 8 FractionCSP3: 0.71
AlogP: 3.55 Num_rotatable_bonds: 18
MolWt: 1106.27 Num_heavy_atoms: 78
TPSA: 330.7 NumAromaticRings: 2

Unique Aglycone
AD04293
Formula: C47H69O17N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(NC(=O)C(Cc3ccc(O)cc3)NC(=O)CCCOc3ccc([N+](=O)[O-])cc3OC)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 20 RingCount: 4
HBD: 8 FractionCSP3: 0.66
AlogP: 2.62 Num_rotatable_bonds: 15
MolWt: 948.07 Num_heavy_atoms: 67
TPSA: 303.01 NumAromaticRings: 2

Sugarmoiety
SD00005

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