Glycoside
...
GD034377

Name:
None

Formula:
C49H79O15N5

Smiles:
CCc1nc2cc(C(=O)NNC(=O)O[C@@H]3[C@H](C)O[C@H](O[C@H]4[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@@H](C)C(=O)[C@@H](C)C[C@](C)(OC)[C@@H](O[C@@H]5O[C@H](C)C[C@H](N(C)C)[C@H]5O)[C@H]4C)C[C@]3(C)OC)ccc2[nH]1

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O.CCc1nc2cc(C(=O)NNC(=O)O)ccc2[nH]1

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 6 FractionCSP3: 0.78
AlogP: 3.96 Num_rotatable_bonds: 11
MolWt: 978.19 Num_heavy_atoms: 69
TPSA: 258.79 NumAromaticRings: 2

Unique Aglycone
AD00774
Formula: C30H55O10N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.93
AlogP: 1.51 Num_rotatable_bonds: 5
MolWt: 589.77 Num_heavy_atoms: 41
TPSA: 155.22 NumAromaticRings: 0
AD21863
Formula: C11H12O3N4

Smiles:
CCc1nc2cc(C(=O)NNC(=O)O)ccc2[nH]1
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.18
AlogP: 1.04 Num_rotatable_bonds: 2
MolWt: 248.24 Num_heavy_atoms: 18
TPSA: 107.11 NumAromaticRings: 2

Sugarmoiety
SD00005

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