Glycoside
...
GD031982

Name:
None

Formula:
C48H68O13

Smiles:
CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OC(=O)C=Cc1ccccc1

Aglycone:
CC(C)CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.O=C(O)C=Cc1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 4 FractionCSP3: 0.73
AlogP: 5.3 Num_rotatable_bonds: 13
MolWt: 853.06 Num_heavy_atoms: 61
TPSA: 187.51 NumAromaticRings: 1

Unique Aglycone
AD00362
Formula: C9H8O2

Smiles:
O=C(O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.78 Num_rotatable_bonds: 2
MolWt: 148.16 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1
AD18446
Formula: C27H44O3

Smiles:
CC(C)CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.89
AlogP: 5.54 Num_rotatable_bonds: 5
MolWt: 416.65 Num_heavy_atoms: 30
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00355

CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O