Glycoside
...
GD000383

Name:
None

Formula:
C84H109O26N10Cl

Smiles:
CCCCCCCCCCN[C@@]1(C)C[C@H](O[C@@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@H](O)[C@H](NC(=O)[C@H](CC(C)C)NC)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:
CCCCCCCCCCNC1(C)CC(O)OC(C)C1O.CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3cccc(c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

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

Other Identifiers

Properties
HBA: 36 RingCount: 12
HBD: 22 FractionCSP3: 0.54
AlogP: 3.46 Num_rotatable_bonds: 25
MolWt: 1698.28 Num_heavy_atoms: 120
TPSA: 560.98 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
AD00434
Formula: C61H66O19N9Cl

Smiles:
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3cccc(c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 28 RingCount: 10
HBD: 18 FractionCSP3: 0.37
AlogP: 1.98 Num_rotatable_bonds: 10
MolWt: 1252.69 Num_heavy_atoms: 89
TPSA: 451.34 NumAromaticRings: 5

Sugarmoiety
SD00003

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