Glycoside
...
GD020160

Name:
None

Formula:
C59H86O19N4

Smiles:
CC(=O)OC[C@@H]1O[C@@H](n2cc(CNC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)CC4)nn2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COC(C)=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 2 FractionCSP3: 0.8
AlogP: 5.85 Num_rotatable_bonds: 15
MolWt: 1155.35 Num_heavy_atoms: 82
TPSA: 291.83 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD07073
Formula: C33H51O2N4

Smiles:
CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.85
AlogP: 7.09 Num_rotatable_bonds: 3
MolWt: 535.8 Num_heavy_atoms: 39
TPSA: 88.15 NumAromaticRings: 0

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O