Glycoside
...
GD023033

Name:
None

Formula:
C92H162O23N44S

Smiles:
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1OCCCn1cc(COc2ccc(C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)C(=O)O)cc2)nn1

Aglycone:
N=C(N)NCCCC(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(OCc2cn(CCCO)nn2)cc1)C(=O)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 67 RingCount: 5
HBD: 55 FractionCSP3: 0.65
AlogP: -12.87 Num_rotatable_bonds: 78
MolWt: 2284.66 Num_heavy_atoms: 160
TPSA: 1141.12 NumAromaticRings: 2

Unique Aglycone
AD15539
Formula: C84H149O18N43S

Smiles:
N=C(N)NCCCC(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(OCc2cn(CCCO)nn2)cc1)C(=O)O
HBA: 61 RingCount: 4
HBD: 52 FractionCSP3: 0.63
AlogP: -10.84 Num_rotatable_bonds: 74
MolWt: 2081.47 Num_heavy_atoms: 146
TPSA: 1053.1 NumAromaticRings: 2

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O