Glycoside
...
GD023561

Name:
None

Formula:
C76H99O28N16Br

Smiles:
CC(C=Cc1ccccc1)=C[C@H](O)[C@@H]1CC(=O)N[C@H](CO)C(=O)N[C@@H]2Cn3cc([n+]([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3)C[C@H](NC(=O)C[C@H](O)C[C@H](C(=O)[O-])NC(=O)[C@H](O)CNC(=O)[C@H]([C@H](C)c3ccc(Br)cc3)NC(=O)[C@H]([C@H](O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC2=O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CO)C(=O)N[C@H](Cc2ccccc2)C(=O)N1

Aglycone:
CC(C=Cc1ccccc1)=CC(O)C1CC(=O)NC(CO)C(=O)NC2Cn3c[nH+]c(c3)CC(NC(=O)CC(O)CC(C(=O)[O-])NC(=O)C(O)CNC(=O)C(C(C)c3ccc(Br)cc3)NC(=O)C(C(O)C(N)=O)NC(=O)C(CC(N)=O)NC2=O)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(Cc2ccccc2)C(=O)N1

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

Other Identifiers

Properties
HBA: 44 RingCount: 7
HBD: 27 FractionCSP3: 0.47
AlogP: -12.67 Num_rotatable_bonds: 18
MolWt: 1764.62 Num_heavy_atoms: 121
TPSA: 716.08 NumAromaticRings: 4

Unique Aglycone
AD15834
Formula: C70H89O23N16Br

Smiles:
CC(C=Cc1ccccc1)=CC(O)C1CC(=O)NC(CO)C(=O)NC2Cn3c[nH+]c(c3)CC(NC(=O)CC(O)CC(C(=O)[O-])NC(=O)C(O)CNC(=O)C(C(C)c3ccc(Br)cc3)NC(=O)C(C(O)C(N)=O)NC(=O)C(CC(N)=O)NC2=O)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(Cc2ccccc2)C(=O)N1
HBA: 39 RingCount: 6
HBD: 24 FractionCSP3: 0.43
AlogP: -10.12 Num_rotatable_bonds: 16
MolWt: 1602.48 Num_heavy_atoms: 110
TPSA: 636.19 NumAromaticRings: 4

Sugarmoiety
SD00003

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