Glycoside
...
GD014194

Name:
None

Formula:
C48H82O16N6

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCNCCNc3cncc([N+](=O)[O-])c3)[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)NC(=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)NC(=O)C(C)C(O)C1(C)O.O=C(O)CCNCCNc1cncc([N+](=O)[O-])c1

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

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 6 FractionCSP3: 0.83
AlogP: 2.69 Num_rotatable_bonds: 17
MolWt: 999.21 Num_heavy_atoms: 70
TPSA: 281.1 NumAromaticRings: 1

Unique Aglycone
AD00310
Formula: C30H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.93
AlogP: 0.81 Num_rotatable_bonds: 5
MolWt: 604.78 Num_heavy_atoms: 42
TPSA: 167.25 NumAromaticRings: 0
AD10476
Formula: C10H14O4N4

Smiles:
O=C(O)CCNCCNc1cncc([N+](=O)[O-])c1
HBA: 8 RingCount: 1
HBD: 3 FractionCSP3: 0.4
AlogP: 0.47 Num_rotatable_bonds: 8
MolWt: 254.25 Num_heavy_atoms: 18
TPSA: 117.39 NumAromaticRings: 1

Sugarmoiety
SD00005

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