Glycoside
...
GD017745

Name:
None

Formula:
C54H96O7

Smiles:
CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@H]4[C@@H]5CC[C@@H]([C@H](C)CC[C@H](CC)C(C)C)[C@]5(C)CC[C@H]43)C2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C.CCCCCCCCCCCCCCCCCCC(=O)OC

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.94
AlogP: 13.05 Num_rotatable_bonds: 27
MolWt: 857.35 Num_heavy_atoms: 61
TPSA: 105.45 NumAromaticRings: 0

Unique Aglycone
AD01460
Formula: C29H50O

Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.93
AlogP: 8.02 Num_rotatable_bonds: 6
MolWt: 414.72 Num_heavy_atoms: 30
TPSA: 20.23 NumAromaticRings: 0
AD02089
Formula: C20H40O2

Smiles:
CCCCCCCCCCCCCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.95
AlogP: 6.81 Num_rotatable_bonds: 17
MolWt: 312.54 Num_heavy_atoms: 22
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O