Glycoside
...
GD037962

Name:
(1r,1'r,2s,2's,3r,3'r,5ar,10ar,11a's)-2'-[(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11 '-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-l-arabino -hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1h,1'h-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside

Formula:
C68H90O24N6

Smiles:
CC[C@@]1(O[C@@H]2C[C@@H](OC)[C@@H](O)[C@@H](C)O2)[C@H](O[C@@H]2C[C@@H](O)[C@@H](N(C)C)[C@@H](C)O2)C2C(NN)=C3C(=O)c4c(O)ccc(O)c4C(=O)C3=C2C(=O)[C@@H]1[C@@H]1C(=O)C2=C3C(=O)C4C(O)=CCC(O)=C4C(=O)C3C(NN)=C2[C@@H](O[C@@H]2C[C@@H](O)[C@@H](N(C)C)[C@@H](C)O2)[C@]1(CC)O[C@@H]1C[C@@H](OC)[C@@H](O)[C@@H](C)O1

Aglycone:
CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(NN)C3C(=O)C4=C(O)CC=C(O)C4C(=O)C3=C2C(=O)C1C1C(=O)C2=C3C(=O)c4c(O)ccc(O)c4C(=O)C3=C(NN)C2C(OC2CC(O)C(N(C)C)C(C)O2)C1(O)CC

Sugarmoiety:
COC1CC(O)OC(C)C1O.COC1CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 12
HBD: 14 FractionCSP3: 0.65
AlogP: 0.56 Num_rotatable_bonds: 17
MolWt: 1375.49 Num_heavy_atoms: 98
TPSA: 439.14 NumAromaticRings: 1

Unique Aglycone
AD23800
Formula: C54H66O18N6

Smiles:
CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(NN)C3C(=O)C4=C(O)CC=C(O)C4C(=O)C3=C2C(=O)C1C1C(=O)C2=C3C(=O)c4c(O)ccc(O)c4C(=O)C3=C(NN)C2C(OC2CC(O)C(N(C)C)C(C)O2)C1(O)CC
HBA: 24 RingCount: 10
HBD: 14 FractionCSP3: 0.56
AlogP: -0.51 Num_rotatable_bonds: 11
MolWt: 1087.15 Num_heavy_atoms: 78
TPSA: 383.76 NumAromaticRings: 1

Sugarmoiety
SD01474

COC1CC(O)OC(C)C1O.COC1CC(O)OC(C)C1O