Glycoside
...
GD007368

Name:
None

Formula:
C47H68O14

Smiles:
CCCCCC(=O)[C@H](C)[C@]1(O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3OCC(=O)c3ccccc3)[C@H]2OC(C)=O)CC2C3CC=C4C[C@H](O)CC[C@@]4(C)C3CC[C@]21C

Aglycone:
CCCCCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.O=C(CO)c1ccccc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 5 FractionCSP3: 0.77
AlogP: 4.2 Num_rotatable_bonds: 15
MolWt: 857.05 Num_heavy_atoms: 61
TPSA: 207.74 NumAromaticRings: 1

Unique Aglycone
AD02599
Formula: C27H44O4

Smiles:
CCCCCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.89
AlogP: 4.8 Num_rotatable_bonds: 6
MolWt: 432.65 Num_heavy_atoms: 31
TPSA: 77.76 NumAromaticRings: 0
AD06007
Formula: C8H8O2

Smiles:
O=C(CO)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 0.86 Num_rotatable_bonds: 2
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 1

Sugarmoiety
SD00355

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