Glycoside
...
GD031468

Name:
None

Formula:
C38H50O14

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C=C3CC[C@@H]4[C@H]([C@H](O)C[C@]5(C)[C@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC12CCC(O)C=C1CCC1C2C(O)CC2(C)C(c3ccc(=O)oc3)CCC12O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 2 FractionCSP3: 0.71
AlogP: 3.24 Num_rotatable_bonds: 8
MolWt: 730.8 Num_heavy_atoms: 52
TPSA: 194.33 NumAromaticRings: 1

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
AD20269
Formula: C24H32O5

Smiles:
CC12CCC(O)C=C1CCC1C2C(O)CC2(C)C(c3ccc(=O)oc3)CCC12O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.71
AlogP: 3.13 Num_rotatable_bonds: 1
MolWt: 400.52 Num_heavy_atoms: 29
TPSA: 90.9 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O