Glycoside
...
GD003167

Name:
None

Formula:
C76H79O25N10Cl3

Smiles:
CC(C)C[C@H](N)C(=O)N[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]2C(=O)N[C@@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2C[C@@](C)(Nc3ccc(Cl)cc3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
CC(C)CC(N)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O.CC1OC(O)CC(C)(Nc2ccc(Cl)cc2)C1O

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

Other Identifiers

Properties
HBA: 35 RingCount: 13
HBD: 22 FractionCSP3: 0.38
AlogP: 1.77 Num_rotatable_bonds: 16
MolWt: 1602.84 Num_heavy_atoms: 111
TPSA: 559.59 NumAromaticRings: 6

Unique Aglycone
AD00546
Formula: C14H18O3NCl

Smiles:
CC1OC(O)CC(C)(Nc2ccc(Cl)cc2)C1O
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.54
AlogP: 2.0 Num_rotatable_bonds: 2
MolWt: 271.74 Num_heavy_atoms: 18
TPSA: 61.72 NumAromaticRings: 1
AD02901
Formula: C56H53O18N9Cl2

Smiles:
CC(C)CC(N)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 27 RingCount: 10
HBD: 18 FractionCSP3: 0.28
AlogP: 1.25 Num_rotatable_bonds: 9
MolWt: 1186.97 Num_heavy_atoms: 83
TPSA: 449.95 NumAromaticRings: 5

Sugarmoiety
SD00003

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