Glycoside
...
GD010142

Name:
None

Formula:
C52H80O16

Smiles:
CCOC(=O)CO[C@@H]1[C@H](C)O[C@H](OC2[C@H](C)O[C@H](OC3C(C)=CC[C@@H]4C[C@H](C[C@]5(CC[C@H](C)[C@H](C(C)CC)O5)O4)OC(=O)C4C=C(C)[C@H](O)[C@@H]5OCC(=CC=C[C@H]3C)C45O)C[C@H]2OC)C[C@H]1OC

Aglycone:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.CCOC(=O)CO

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 2 FractionCSP3: 0.81
AlogP: 6.19 Num_rotatable_bonds: 12
MolWt: 961.2 Num_heavy_atoms: 68
TPSA: 185.36 NumAromaticRings: 0

Unique Aglycone
AD02409
Formula: C34H50O8

Smiles:
CCC(C)C1OC2(CCC1C)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: 0.74
AlogP: 4.53 Num_rotatable_bonds: 2
MolWt: 586.77 Num_heavy_atoms: 42
TPSA: 114.68 NumAromaticRings: 0
AD07875
Formula: C4H8O3

Smiles:
CCOC(=O)CO
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: -0.46 Num_rotatable_bonds: 2
MolWt: 104.1 Num_heavy_atoms: 7
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD00177

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