Glycoside
...
GD035535

Name:
None

Formula:
C83H79O25N11Cl2S2

Smiles:
CCCCSC1=C(SCCCC)C(=O)N(Cc2cn(C3C(=O)N[C@@H]4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H]5NC(=O)[C@H](NC(O)[C@H]6NC(=O)[C@H](NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3[C@H](C(=O)O)NC5=O)nn2)C1=O

Aglycone:
CCCCSC1=C(SCCCC)C(=O)N(Cc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)C1=O

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

Other Identifiers

Properties
HBA: 36 RingCount: 16
HBD: 18 FractionCSP3: 0.32
AlogP: 6.07 Num_rotatable_bonds: 16
MolWt: 1741.62 Num_heavy_atoms: 121
TPSA: 540.47 NumAromaticRings: 8

Unique Aglycone
AD22476
Formula: C75H66O20N10Cl2S2

Smiles:
CCCCSC1=C(SCCCC)C(=O)N(Cc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)C1=O
HBA: 30 RingCount: 15
HBD: 15 FractionCSP3: 0.26
AlogP: 8.1 Num_rotatable_bonds: 12
MolWt: 1538.42 Num_heavy_atoms: 107
TPSA: 452.45 NumAromaticRings: 8

Sugarmoiety
SD00014

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