Glycoside
...
GD009098

Name:
None

Formula:
C42H61O8N3S

Smiles:
COc1ccc(C=NNC(=S)N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@H](C)CO7)[C@H](C)[C@H]6[C@@]5(C)CC[C@H]43)C2)cc1

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.COc1ccc(C=NNC(N)=S)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 8
HBD: 5 FractionCSP3: 0.76
AlogP: 5.05 Num_rotatable_bonds: 7
MolWt: 768.03 Num_heavy_atoms: 54
TPSA: 143.26 NumAromaticRings: 1

Unique Aglycone
AD00005
Formula: C27H42O3

Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C
HBA: 3 RingCount: 6
HBD: 1 FractionCSP3: 0.93
AlogP: 5.71 Num_rotatable_bonds: 0
MolWt: 414.63 Num_heavy_atoms: 30
TPSA: 38.69 NumAromaticRings: 0
AD02175
Formula: C9H11ON3S

Smiles:
COc1ccc(C=NNC(N)=S)cc1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.11
AlogP: 0.86 Num_rotatable_bonds: 3
MolWt: 209.27 Num_heavy_atoms: 14
TPSA: 59.64 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O