Glycoside
...
GD004637

Name:
None

Formula:
C77H96O25N9Cl

Smiles:
CCCCCCCCCCN[C@@]1(C)C[C@H](O[C@@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@H](O)[C@H](N)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)cc(O)c5-c5cc3ccc5O)[C@H](O[C@@H]3C[C@@](C)(N)[C@H](O)[C@H](C)O3)c3cccc(c3)O4)O[C@H](CO)[C@H](O)[C@H]2O)O[C@H](C)[C@H]1O

Aglycone:
CC1OC(OC2c3cccc(c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C(N)C(=O)NC(CC(N)=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)CC(C)(N)C1O.CCCCCCCCCCNC1(C)CC(O)OC(C)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 34 RingCount: 12
HBD: 22 FractionCSP3: 0.51
AlogP: 2.67 Num_rotatable_bonds: 20
MolWt: 1571.1 Num_heavy_atoms: 111
TPSA: 545.87 NumAromaticRings: 5

Unique Aglycone
AD00433
Formula: C17H35O3N

Smiles:
CCCCCCCCCCNC1(C)CC(O)OC(C)C1O
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: 2.96 Num_rotatable_bonds: 10
MolWt: 301.47 Num_heavy_atoms: 21
TPSA: 61.72 NumAromaticRings: 0
AD04024
Formula: C54H53O18N8Cl

Smiles:
CC1OC(OC2c3cccc(c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C(N)C(=O)NC(CC(N)=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)CC(C)(N)C1O
HBA: 26 RingCount: 10
HBD: 18 FractionCSP3: 0.3
AlogP: 1.19 Num_rotatable_bonds: 5
MolWt: 1125.5 Num_heavy_atoms: 80
TPSA: 436.23 NumAromaticRings: 5

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O