Glycoside
...
GD039748

Name:
[(r)-4-((1,3-dioxolane-2-oxy)-4-(s)-yl)-4-hydroxy]-(r)-10-(2-methylamino-5-methyl-2,6-dideoxygalactopyranosyl-oxy)-(r)-11-(2-hydroxy-5-methyl-7-methoxy-1-naphthoyl-oxy)-(r)-12-s-glutathionyl-4,10,11,12-tetrahydroindacene

Formula:
C45H52O18N4S

Smiles:
CN[C@@H]1[C@@H](O[C@H]2c3cc4c(cc3[C@@H](SC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H]2OC(=O)c2c(O)ccc3c(C)cc(OC)cc23)[C@@](O)([C@@H]2COC(=O)O2)C=C4)O[C@H](C)[C@H](O)[C@@H]1O

Aglycone:
COc1cc(C)c2ccc(O)c(C(=O)OC3C(O)c4cc5c(cc4C3SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)(C3COC(=O)O3)C=C5)c2c1

Sugarmoiety:
CNC1C(O)OC(C)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 11 FractionCSP3: 0.47
AlogP: 0.62 Num_rotatable_bonds: 18
MolWt: 968.99 Num_heavy_atoms: 68
TPSA: 341.29 NumAromaticRings: 3

Unique Aglycone
AD24524
Formula: C38H39O15N3S

Smiles:
COc1cc(C)c2ccc(O)c(C(=O)OC3C(O)c4cc5c(cc4C3SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)(C3COC(=O)O3)C=C5)c2c1
HBA: 18 RingCount: 6
HBD: 9 FractionCSP3: 0.37
AlogP: 1.54 Num_rotatable_bonds: 15
MolWt: 809.8 Num_heavy_atoms: 57
TPSA: 290.57 NumAromaticRings: 3

Sugarmoiety
SD00861

CNC1C(O)OC(C)C(O)C1O