Glycoside
...
GD029576

Name:
None

Formula:
C51H94O14N6

Smiles:
CC(C)CCCC(C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](NCO[C@@H]5[C@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7N)[C@@H](N)C[C@@H](N)[C@H]6O)O[C@H](CO)[C@H]5O[C@@H]5O[C@H](CN)[C@H](O)[C@H](O)[C@H]5N)CC[C@@]4(C)[C@H]3CC[C@]12C

Aglycone:
CC(C)CCCC(C)C1CCC2C3CCC4CC(NCO)CCC4(C)C3CCC12C.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 18 FractionCSP3: 1.0
AlogP: -0.8 Num_rotatable_bonds: 18
MolWt: 1015.34 Num_heavy_atoms: 71
TPSA: 348.35 NumAromaticRings: 0

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD19229
Formula: C28H51ON

Smiles:
CC(C)CCCC(C)C1CCC2C3CCC4CC(NCO)CCC4(C)C3CCC12C
HBA: 2 RingCount: 4
HBD: 2 FractionCSP3: 1.0
AlogP: 7.02 Num_rotatable_bonds: 7
MolWt: 417.72 Num_heavy_atoms: 30
TPSA: 32.26 NumAromaticRings: 0

Sugarmoiety
SD00445

NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1O