Glycoside
...
GD036821

Name:
None

Formula:
C41H70O14

Smiles:
COC[C@H](O)[C@@H]1O[C@H](O[C@@H]2C3=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](OC)[C@H]5O)[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]3[C@]3(C)CC[C@H](O)C[C@H]3[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
CC(C)CCCC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C.COCCO

Sugarmoiety:
COC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 8 FractionCSP3: 0.95
AlogP: 1.4 Num_rotatable_bonds: 14
MolWt: 787.0 Num_heavy_atoms: 55
TPSA: 217.22 NumAromaticRings: 0

Unique Aglycone
AD00384
Formula: C3H8O2

Smiles:
COCCO
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 76.09 Num_heavy_atoms: 5
TPSA: 29.46 NumAromaticRings: 0
AD04418
Formula: C27H46O4

Smiles:
CC(C)CCCC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 4.45 Num_rotatable_bonds: 5
MolWt: 434.66 Num_heavy_atoms: 31
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD02961

COC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C1O