Glycoside
...
GD028842

Name:
None

Formula:
C44H50O10N4

Smiles:
COc1ccc(C=NC[C@H]2O[C@@H](O[C@H]3[C@H](N=Cc4ccc(OC)cc4)C[C@@H](N=Cc4ccc(OC)cc4)[C@@H](O)[C@H]3O)[C@@H](N=Cc3ccc(OC)cc3)[C@H](O)[C@H]2O)cc1

Aglycone:
CN=Cc1ccc(OC)cc1.COc1ccc(C=N)cc1.COc1ccc(C=NC2CC(N=Cc3ccc(OC)cc3)C(O)C(O)C2O)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 4 FractionCSP3: 0.36
AlogP: 3.56 Num_rotatable_bonds: 15
MolWt: 794.9 Num_heavy_atoms: 58
TPSA: 185.74 NumAromaticRings: 4

Unique Aglycone
AD18803
Formula: C9H11ON

Smiles:
CN=Cc1ccc(OC)cc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.22
AlogP: 1.74 Num_rotatable_bonds: 2
MolWt: 149.19 Num_heavy_atoms: 11
TPSA: 21.59 NumAromaticRings: 1
AD18804
Formula: C8H9ON

Smiles:
COc1ccc(C=N)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.69 Num_rotatable_bonds: 2
MolWt: 135.17 Num_heavy_atoms: 10
TPSA: 33.08 NumAromaticRings: 1
AD18805
Formula: C22H26O5N2

Smiles:
COc1ccc(C=NC2CC(N=Cc3ccc(OC)cc3)C(O)C(O)C2O)cc1
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.36
AlogP: 1.47 Num_rotatable_bonds: 6
MolWt: 398.46 Num_heavy_atoms: 29
TPSA: 103.87 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O