Glycoside
...
GD023808

Name:
None

Formula:
C57H77O17Cl3

Smiles:
CC[C@H](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@H](OC(=O)CCC(=O)OCC(Cl)(Cl)Cl)[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.O=C(O)CCC(=O)OCC(Cl)(Cl)Cl

Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 2 FractionCSP3: 0.76
AlogP: 7.62 Num_rotatable_bonds: 13
MolWt: 1104.55 Num_heavy_atoms: 74
TPSA: 202.43 NumAromaticRings: 0

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
AD15980
Formula: C9H7O4Cl3

Smiles:
O=C(O)CCC(=O)OCC(Cl)(Cl)Cl
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 1.76 Num_rotatable_bonds: 4
MolWt: 249.48 Num_heavy_atoms: 13
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD00177

COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O