Glycoside
...
GD127466

Name:
4-{[3-(acetyloxy)-6-[(acetyloxy)methyl]-4,5-dihydroxyoxan-2-yl]oxy}-5-(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-12-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

Formula:
C39H46O15

Smiles:
CC(=O)OCC1OC(OC2CC(C)(O)C34OC(C)(C)C(CC(OC(=O)c5ccccc5)C3(C)C2OC(=O)c2ccccc2)C4=O)C(OC(C)=O)C(O)C1O

Aglycone:
CC1(C)OC23C(=O)C1CC(OC(=O)c1ccccc1)C2(C)C(OC(=O)c1ccccc1)C(O)CC3(C)O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 3 FractionCSP3: 0.56
AlogP: 2.06 Num_rotatable_bonds: 9
MolWt: 754.78 Num_heavy_atoms: 54
TPSA: 210.65 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD51617
Formula: C29H32O8

Smiles:
CC1(C)OC23C(=O)C1CC(OC(=O)c1ccccc1)C2(C)C(OC(=O)c1ccccc1)C(O)CC3(C)O
HBA: 8 RingCount: 5
HBD: 2 FractionCSP3: 0.48
AlogP: 3.1 Num_rotatable_bonds: 4
MolWt: 508.57 Num_heavy_atoms: 37
TPSA: 119.36 NumAromaticRings: 2

Sugarmoiety
SD00776

CC(=O)OC1C(O)OC(O)C(O)C1O