Glycoside
...
GD006705

Name:
None

Formula:
C53H78O17N6

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(-c5ccc([N+](=O)[O-])cc5)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:
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.O=C(O)NNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1

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

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 6 FractionCSP3: 0.68
AlogP: 4.97 Num_rotatable_bonds: 12
MolWt: 1071.23 Num_heavy_atoms: 76
TPSA: 301.93 NumAromaticRings: 3

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
AD05517
Formula: C15H11O5N5

Smiles:
O=C(O)NNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.05 Num_rotatable_bonds: 3
MolWt: 341.28 Num_heavy_atoms: 25
TPSA: 150.25 NumAromaticRings: 3

Sugarmoiety
SD00005

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