Glycoside
...
GD006766

Name:
None

Formula:
C50H81O15N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NNC(=O)c3ccc4[nH]c(C(C)C)nc4c3)[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)(OC)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CC(C)c1nc2cc(C(=O)NNC(=O)O)ccc2[nH]1.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

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 6 FractionCSP3: 0.78
AlogP: 4.52 Num_rotatable_bonds: 11
MolWt: 992.22 Num_heavy_atoms: 70
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
AD05563
Formula: C12H14O3N4

Smiles:
CC(C)c1nc2cc(C(=O)NNC(=O)O)ccc2[nH]1
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.25
AlogP: 1.6 Num_rotatable_bonds: 2
MolWt: 262.27 Num_heavy_atoms: 19
TPSA: 107.11 NumAromaticRings: 2

Sugarmoiety
SD00005

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