Glycoside
...
GD031151

Name:
None

Formula:
C60H95O19N3S3

Smiles:
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3C(=O)C=C3[C@@H]5C[C@@](C)(C(=O)N[C@H](CCSC)C(=O)OC)CC[C@@]5(C)CC[C@]34C)C2(C)C)[C@H](O[C@@H]2O[C@H](C(=O)N[C@H](CCSC)C(=O)OC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)C(CCSC)NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COC(=O)C(CCSC)NC=O.COC(=O)C(CCSC)NC=O

Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 8 FractionCSP3: 0.85
AlogP: 3.22 Num_rotatable_bonds: 22
MolWt: 1258.62 Num_heavy_atoms: 85
TPSA: 321.34 NumAromaticRings: 0

Unique Aglycone
AD20087
Formula: C36H57O5NS

Smiles:
COC(=O)C(CCSC)NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.86
AlogP: 6.74 Num_rotatable_bonds: 6
MolWt: 615.92 Num_heavy_atoms: 43
TPSA: 92.7 NumAromaticRings: 0
AD20088
Formula: C7H13O3NS

Smiles:
COC(=O)C(CCSC)NC=O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.71
AlogP: 0.03 Num_rotatable_bonds: 6
MolWt: 191.25 Num_heavy_atoms: 12
TPSA: 55.4 NumAromaticRings: 0

Sugarmoiety
SD00502

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O