Glycoside
...
GD028837

Name:
None

Formula:
C58H85O25N5S3

Smiles:
CCCC(C)C=C(C)C(=O)OC(CCCCCCCC=CC(=O)NCCC(=O)NC(CS(=O)(=O)O)C(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(OS(=O)(=O)O)c(c2)-c2cc1cc(OS(=O)(=O)O)c2O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)CCC(C)C

Aglycone:
CCCC(C)C=C(C)C(=O)OC(CCCCCCCC=CC(=O)NCCC(=O)NC(CS(=O)(=O)O)C(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(OS(=O)(=O)O)c(c2)-c2cc1cc(OS(=O)(=O)O)c2O)CCC(C)C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 4
HBD: 11 FractionCSP3: 0.6
AlogP: 2.95 Num_rotatable_bonds: 32
MolWt: 1348.53 Num_heavy_atoms: 91
TPSA: 461.03 NumAromaticRings: 2

Unique Aglycone
AD18800
Formula: C52H75O21N5S3

Smiles:
CCCC(C)C=C(C)C(=O)OC(CCCCCCCC=CC(=O)NCCC(=O)NC(CS(=O)(=O)O)C(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(OS(=O)(=O)O)c(c2)-c2cc1cc(OS(=O)(=O)O)c2O)CCC(C)C
HBA: 26 RingCount: 3
HBD: 9 FractionCSP3: 0.56
AlogP: 4.45 Num_rotatable_bonds: 30
MolWt: 1202.39 Num_heavy_atoms: 81
TPSA: 402.11 NumAromaticRings: 2

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O