Glycoside
...
GD025528

Name:
None

Formula:
C44H66O14

Smiles:
COC(OC)[C@H](C)[C@]1(O)[C@H](OC2OCC(O)C(OC3OCC(O)C(O)C3OC(C)c3ccccc3)C2OC(C)=O)CC2C3CC=C4C[C@H](O)CC[C@@]4(C)C3CC[C@]21C

Aglycone:
CC(O)c1ccccc1.COC(OC)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 5 FractionCSP3: 0.8
AlogP: 3.55 Num_rotatable_bonds: 12
MolWt: 819.0 Num_heavy_atoms: 58
TPSA: 192.06 NumAromaticRings: 1

Unique Aglycone
AD07101
Formula: C8H10O

Smiles:
CC(O)c1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.25
AlogP: 1.74 Num_rotatable_bonds: 1
MolWt: 122.17 Num_heavy_atoms: 9
TPSA: 20.23 NumAromaticRings: 1
AD16917
Formula: C24H40O5

Smiles:
COC(OC)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.92
AlogP: 3.27 Num_rotatable_bonds: 4
MolWt: 408.58 Num_heavy_atoms: 29
TPSA: 79.15 NumAromaticRings: 0

Sugarmoiety
SD00355

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