Glycoside
...
GD011474

Name:
None

Formula:
C35H46O10

Smiles:
CO[C@H]1[C@H](C)O[C@@H](OCC23C[C@@H]4[C@H](C)CC[C@H]4C4(C=O)CC2C=C(C(C)C)C34C(=O)O)C(O)[C@H]1OC(=O)OCc1ccccc1

Aglycone:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O.O=C(O)OCc1ccccc1

Sugarmoiety:
COC1C(C)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 2 FractionCSP3: 0.69
AlogP: 4.77 Num_rotatable_bonds: 10
MolWt: 626.74 Num_heavy_atoms: 45
TPSA: 137.82 NumAromaticRings: 1

Unique Aglycone
AD00440
Formula: C20H28O4

Smiles:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.8
AlogP: 2.9 Num_rotatable_bonds: 4
MolWt: 332.44 Num_heavy_atoms: 24
TPSA: 74.6 NumAromaticRings: 0
AD08773
Formula: C8H8O3

Smiles:
O=C(O)OCc1ccccc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.88 Num_rotatable_bonds: 2
MolWt: 152.15 Num_heavy_atoms: 11
TPSA: 46.53 NumAromaticRings: 1

Sugarmoiety
SD00158

COC1C(C)OC(O)C(O)C1O