Glycoside
...
GD008665

Name:
None

Formula:
C48H67O18N7

Smiles:
CN(C)C1=CC2Oc3cc(N(C)C)ccc3C(c3ccc(C(=O)NC[C@@H]4O[C@H](O[C@@H]5[C@H](CO)O[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)[C@H]5O)[C@H](N)[C@H](O)[C@H]4O)cc3C(=O)O)=C2C=C1

Aglycone:
CNC(=O)c1ccc(C2=C3C=CC(N(C)C)=CC3Oc3cc(N(C)C)ccc32)c(C(=O)O)c1.NC1CC(N)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 25 RingCount: 8
HBD: 18 FractionCSP3: 0.58
AlogP: -5.05 Num_rotatable_bonds: 15
MolWt: 1030.1 Num_heavy_atoms: 73
TPSA: 403.41 NumAromaticRings: 2

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
AD06892
Formula: C26H27O4N3

Smiles:
CNC(=O)c1ccc(C2=C3C=CC(N(C)C)=CC3Oc3cc(N(C)C)ccc32)c(C(=O)O)c1
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.23
AlogP: 3.39 Num_rotatable_bonds: 5
MolWt: 445.52 Num_heavy_atoms: 33
TPSA: 82.11 NumAromaticRings: 2

Sugarmoiety
SD01023

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