Glycoside
...
GD023366

Name:
None

Formula:
C54H77O14NS

Smiles:
CCC(C)[C@@H]1O[C@@]2(C=C[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@](O)(CSc5ccncc5)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2

Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.CSc1ccncc1

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(O)(O)C(C)O1

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 3 FractionCSP3: 0.7
AlogP: 6.93 Num_rotatable_bonds: 11
MolWt: 996.27 Num_heavy_atoms: 70
TPSA: 182.95 NumAromaticRings: 1

Unique Aglycone
AD00521
Formula: C34H48O8

Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.68
AlogP: 4.31 Num_rotatable_bonds: 2
MolWt: 584.75 Num_heavy_atoms: 42
TPSA: 114.68 NumAromaticRings: 0
AD15726
Formula: C6H7NS

Smiles:
CSc1ccncc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.17
AlogP: 1.8 Num_rotatable_bonds: 1
MolWt: 125.2 Num_heavy_atoms: 8
TPSA: 12.89 NumAromaticRings: 1

Sugarmoiety
SD00395

COC1CC(O)OC(C)C1OC1CC(OC)C(O)(O)C(C)O1