Glycoside
...
GD003737

Name:
None

Formula:
C46H66O14

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(=O)[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]6CC[C@]54C)C2=C(C(C)C)C(=O)C3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4=C(C(C)C)C(=O)CC4(C(=O)O)CCC23C)C1(C)C.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 0 FractionCSP3: 0.8
AlogP: 6.53 Num_rotatable_bonds: 9
MolWt: 843.02 Num_heavy_atoms: 60
TPSA: 184.1 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
AD03351
Formula: C32H48O5

Smiles:
CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4=C(C(C)C)C(=O)CC4(C(=O)O)CCC23C)C1(C)C
HBA: 5 RingCount: 5
HBD: 1 FractionCSP3: 0.84
AlogP: 6.98 Num_rotatable_bonds: 3
MolWt: 512.73 Num_heavy_atoms: 37
TPSA: 80.67 NumAromaticRings: 0

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O