Glycoside
...
GD023726

Name:
None

Formula:
C50H54O10N4

Smiles:
CCC[C@@H]1[C@@H]2CCc3cc(OCc4cn(C[C@@H]5O[C@H](OC)[C@H](OC(=O)c6ccccc6)[C@H](OC(=O)c6ccccc6)[C@H]5OC(=O)c5ccccc5)nn4)ccc3[C@H]2CC[C@]1(C)C=NO

Aglycone:
CCCC1C2CCc3cc(OCc4cn(C)nn4)ccc3C2CCC1(C)C=NO.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 1 FractionCSP3: 0.4
AlogP: 8.23 Num_rotatable_bonds: 15
MolWt: 871.0 Num_heavy_atoms: 64
TPSA: 169.89 NumAromaticRings: 5

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD15932
Formula: C23H32O2N4

Smiles:
CCCC1C2CCc3cc(OCc4cn(C)nn4)ccc3C2CCC1(C)C=NO
HBA: 6 RingCount: 4
HBD: 1 FractionCSP3: 0.61
AlogP: 4.72 Num_rotatable_bonds: 6
MolWt: 396.54 Num_heavy_atoms: 29
TPSA: 72.53 NumAromaticRings: 2

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O