Glycoside
...
GD036517

Name:
None

Formula:
C50H55O10N3

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)CO

Aglycone:
CCCC1C2CCc3cc(OCc4cn(C)nn4)ccc3C2CCC1(C)CO.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 1 FractionCSP3: 0.42
AlogP: 7.76 Num_rotatable_bonds: 15
MolWt: 858.0 Num_heavy_atoms: 63
TPSA: 157.53 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
AD00244
Formula: C23H33O2N3

Smiles:
CCCC1C2CCc3cc(OCc4cn(C)nn4)ccc3C2CCC1(C)CO
HBA: 5 RingCount: 4
HBD: 1 FractionCSP3: 0.65
AlogP: 4.25 Num_rotatable_bonds: 6
MolWt: 383.54 Num_heavy_atoms: 28
TPSA: 60.17 NumAromaticRings: 2

Sugarmoiety
SD00009

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