Glycoside
...
GD036751

Name:
None

Formula:
C38H50O11

Smiles:
CO[C@@H]1[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@@H](C)[C@@H](OC(=O)c2ccccc2)[C@H]1OC

Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1.O=C(O)c1ccccc1

Sugarmoiety:
COC1C(O)OC(C)C(O)C1OC

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 2 FractionCSP3: 0.71
AlogP: 3.92 Num_rotatable_bonds: 8
MolWt: 682.81 Num_heavy_atoms: 49
TPSA: 147.05 NumAromaticRings: 1

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD00229
Formula: C23H32O6

Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 1.9 Num_rotatable_bonds: 2
MolWt: 404.5 Num_heavy_atoms: 29
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00057

COC1C(O)OC(C)C(O)C1OC