Glycoside
...
GD036963

Name:
None

Formula:
C43H70O15

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC[C@@]2(C)[C@H](O)CC[C@@]3(C)[C@@H]4CC[C@@H]5[C@@H]6C[C@@](C)(O)CC[C@@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]32)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
CC1(O)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1.COC(C)=O

Sugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.95
AlogP: 2.26 Num_rotatable_bonds: 8
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
AD10015
Formula: C29H48O5

Smiles:
CC1(O)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.97
AlogP: 5.01 Num_rotatable_bonds: 2
MolWt: 476.7 Num_heavy_atoms: 34
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD01113

CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O