Glycoside
...
GD019438

Name:
None

Formula:
C88H113O31N11Cl2

Smiles:
CCCCCCCCCC(=O)N[C@@]1(C)C[C@H](O[C@@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@@H](NC(=O)[C@@H]5NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)[C@@H](O)c5ccc(c(Cl)c5)O4)c4ccc(O)c(c4)-c4c(cc(O)c(CNCCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c4O)[C@@H](C(=O)O)NC3=O)O[C@H](CO)[C@H](O)[C@H]2O)O[C@H](C)[C@H]1O

Aglycone:
CCCCCCCCCC(=O)NC1(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)c(CNCCC[NH])c(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

Sugarmoiety:
O=CC(O)C(O)C(O)C(O)CO.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 42 RingCount: 12
HBD: 27 FractionCSP3: 0.53
AlogP: -0.56 Num_rotatable_bonds: 33
MolWt: 1867.8 Num_heavy_atoms: 130
TPSA: 675.85 NumAromaticRings: 5

Unique Aglycone
AD05871
Formula: C59H61O17N10Cl2

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)c(CNCCC[NH])c(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 27 RingCount: 10
HBD: 18 FractionCSP3: 0.33
AlogP: 2.16 Num_rotatable_bonds: 13
MolWt: 1229.07 Num_heavy_atoms: 86
TPSA: 442.69 NumAromaticRings: 5
AD13566
Formula: C17H33O4N

Smiles:
CCCCCCCCCC(=O)NC1(C)CC(O)OC(C)C1O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.94
AlogP: 2.49 Num_rotatable_bonds: 9
MolWt: 315.45 Num_heavy_atoms: 22
TPSA: 78.79 NumAromaticRings: 0

Sugarmoiety
SD01209

O=CC(O)C(O)C(O)C(O)CO.OCC1OC(O)C(O)C(O)C1O