Glycoside
...
GD029560

Name:
None

Formula:
C47H78O14

Smiles:
CCC(C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12C)C(C)C

Aglycone:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 8 FractionCSP3: 0.91
AlogP: 3.33 Num_rotatable_bonds: 12
MolWt: 867.13 Num_heavy_atoms: 61
TPSA: 217.22 NumAromaticRings: 0

Unique Aglycone
AD15110
Formula: C29H48O

Smiles:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.86
AlogP: 7.8 Num_rotatable_bonds: 5
MolWt: 412.7 Num_heavy_atoms: 30
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00209

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O