Glycoside
...
GD151443

Name:
Urdamycin E

Formula:
C44H58O17S

Smiles:
CSC1=CC2=C(C(=O)c3ccc(C4CC(OC5CCC(OC6CC(O)C(O)C(C)O6)C(C)O5)C(O)C(C)O4)c(O)c3C2=O)C2(OC3CCC(O)C(C)O3)C(=O)CC(C)(O)CC12O

Aglycone:
CSC1=CC2=C(C(=O)c3ccc(C4CC(OC5CCC(O)C(C)O5)C(O)C(C)O4)c(O)c3C2=O)C2(OC3CCC(O)C(C)O3)C(=O)CC(C)(O)CC12O

Sugarmoiety:
CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 7 FractionCSP3: 0.7
AlogP: 2.18 Num_rotatable_bonds: 8
MolWt: 891.0 Num_heavy_atoms: 62
TPSA: 257.43 NumAromaticRings: 1

Unique Aglycone
AD60400
Formula: C38H48O14S

Smiles:
CSC1=CC2=C(C(=O)c3ccc(C4CC(OC5CCC(O)C(C)O5)C(O)C(C)O4)c(O)c3C2=O)C2(OC3CCC(O)C(C)O3)C(=O)CC(C)(O)CC12O
HBA: 14 RingCount: 7
HBD: 6 FractionCSP3: 0.66
AlogP: 2.3 Num_rotatable_bonds: 6
MolWt: 760.86 Num_heavy_atoms: 53
TPSA: 218.74 NumAromaticRings: 1

Sugarmoiety
SD00010

CC1OC(O)CC(O)C1O