Glycoside
...
GD027436

Name:
None

Formula:
C50H56O20N10S2

Smiles:
COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](CNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)O)C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c2)cc1O

Aglycone:
CNC(=O)OCCSSCC(NC(=O)C(CC(=O)O)NC(=O)CCC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)O.COc1ccc(C=Cc2cc(O)cc(O)c2)cc1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 6
HBD: 16 FractionCSP3: 0.34
AlogP: -0.02 Num_rotatable_bonds: 28
MolWt: 1181.18 Num_heavy_atoms: 82
TPSA: 475.95 NumAromaticRings: 5

Unique Aglycone
AD11932
Formula: C15H14O4

Smiles:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1O
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.07
AlogP: 2.98 Num_rotatable_bonds: 3
MolWt: 258.27 Num_heavy_atoms: 19
TPSA: 69.92 NumAromaticRings: 2
AD18032
Formula: C30H36O12N10S2

Smiles:
CNC(=O)OCCSSCC(NC(=O)C(CC(=O)O)NC(=O)CCC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)O
HBA: 22 RingCount: 3
HBD: 11 FractionCSP3: 0.37
AlogP: -0.86 Num_rotatable_bonds: 21
MolWt: 792.81 Num_heavy_atoms: 54
TPSA: 347.11 NumAromaticRings: 3

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O