Glycoside
...
GD013088

Name:
None

Formula:
C78H97O23N19S6

Smiles:
C=C(NC(=O)c1csc(C2=N[C@@H]3c4csc(n4)[C@@H]4NC(=O)c5csc(n5)[C@H]([C@@](C)(O)[C@H](C)O)NC(=O)[C@@H]5CSC(=N5)C(=CC)NC(=O)[C@H]([C@H](C)O)NC(=O)c5csc(n5)[C@@]3(CC2)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)CC)N[C@@H]2C=Cc3c([C@H](C)O)cc(nc3[C@H]2O)C(=O)O[C@H]4C)n1)C(=O)NC(CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O

Aglycone:
C=C1NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC(C)C2NC(=O)c3csc(n3)C(C(C)(O)C(C)O)NC(=O)C3CSC(=N3)C(=CC)NC(=O)C(C(C)O)NC(=O)c3csc(n3)C3(CCC(c4nc(C(=O)NC(=C)C(=O)NC(CS)C(N)=O)cs4)=NC3c3csc2n3)NC(=O)C(C)NC1=O

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

Other Identifiers

Properties
HBA: 42 RingCount: 11
HBD: 22 FractionCSP3: 0.5
AlogP: -1.84 Num_rotatable_bonds: 16
MolWt: 1861.15 Num_heavy_atoms: 126
TPSA: 652.89 NumAromaticRings: 5

Unique Aglycone
AD09814
Formula: C72H87O18N19S6

Smiles:
C=C1NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC(C)C2NC(=O)c3csc(n3)C(C(C)(O)C(C)O)NC(=O)C3CSC(=N3)C(=CC)NC(=O)C(C(C)O)NC(=O)c3csc(n3)C3(CCC(c4nc(C(=O)NC(=C)C(=O)NC(CS)C(N)=O)cs4)=NC3c3csc2n3)NC(=O)C(C)NC1=O
HBA: 37 RingCount: 10
HBD: 18 FractionCSP3: 0.46
AlogP: 0.56 Num_rotatable_bonds: 13
MolWt: 1699.01 Num_heavy_atoms: 115
TPSA: 562.74 NumAromaticRings: 5

Sugarmoiety
SD00003

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