Glycoside
...
GD005823

Name:
None

Formula:
C62H84O18N2S2

Smiles:
CC1(C)[C@H](O[C@@H]2O[C@H](C(=O)N[C@H](CSCc3ccccc3)C(=O)O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)N[C@H](CSCc3ccccc3)C(=O)O)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.O=CNC(CSCc1ccccc1)C(=O)O.O=CNC(CSCc1ccccc1)C(=O)O

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

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 10 FractionCSP3: 0.68
AlogP: 5.08 Num_rotatable_bonds: 19
MolWt: 1209.48 Num_heavy_atoms: 84
TPSA: 325.24 NumAromaticRings: 2

Unique Aglycone
AD02343
Formula: C30H46O4

Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.41 Num_rotatable_bonds: 1
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0
AD04887
Formula: C11H13O3NS

Smiles:
O=CNC(CSCc1ccccc1)C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.27
AlogP: 1.12 Num_rotatable_bonds: 7
MolWt: 239.3 Num_heavy_atoms: 16
TPSA: 66.4 NumAromaticRings: 1

Sugarmoiety
SD00502

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