Glycoside
...
GD025632

Name:
None

Formula:
C43H70O15

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC=C3C[C@@H]4CC[C@]5(C)[C@H]([C@H](C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)O)CC[C@@]5(C(=O)O)[C@H]4CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C(=O)O)C3CCC4C(=CCC(O)C4(C)C)CC3CCC12C.COC(C)=O

Sugarmoiety:
OC1COC(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 8 FractionCSP3: 0.91
AlogP: 2.42 Num_rotatable_bonds: 12
MolWt: 827.02 Num_heavy_atoms: 58
TPSA: 242.13 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD05179
Formula: C30H50O5

Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C(=O)O)C3CCC4C(=CCC(O)C4(C)C)CC3CCC12C
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.9
AlogP: 5.57 Num_rotatable_bonds: 6
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD01082

OC1COC(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O