Glycoside
...
GD001386

Name:
None

Formula:
C48H77O19N3

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)CNC(=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)CNC(=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: 22 RingCount: 4
HBD: 7 FractionCSP3: 0.79
AlogP: 2.23 Num_rotatable_bonds: 16
MolWt: 1000.15 Num_heavy_atoms: 70
TPSA: 310.47 NumAromaticRings: 1

Unique Aglycone
AD01400
Formula: C40H63O16N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(NC(=O)CNC(=O)CCCOc3ccc([N+](=O)[O-])cc3OC)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 19 RingCount: 3
HBD: 7 FractionCSP3: 0.75
AlogP: 1.31 Num_rotatable_bonds: 13
MolWt: 841.95 Num_heavy_atoms: 59
TPSA: 282.78 NumAromaticRings: 1

Sugarmoiety
SD00005

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