Glycoside
...
GD027326

Name:
SAGITTINE E

Formula:
C29H44O7

Smiles:
C=C[C@@]1(C)CC[C@@]2(C)[C@@H]3CCC[C@@](C)(CO[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H]4OC(C)=O)C3=CC[C@@H]2C1

Aglycone:
C=CC1(C)CCC2(C)C(CC=C3C2CCCC3(C)CO)C1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 7 RingCount: 4
HBD: 1 FractionCSP3: 0.79
AlogP: 4.72 Num_rotatable_bonds: 7
MolWt: 504.66 Num_heavy_atoms: 36
TPSA: 91.29 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
AD04947
Formula: C20H32O

Smiles:
C=CC1(C)CCC2(C)C(CC=C3C2CCCC3(C)CO)C1
HBA: 1 RingCount: 3
HBD: 1 FractionCSP3: 0.8
AlogP: 5.11 Num_rotatable_bonds: 2
MolWt: 288.47 Num_heavy_atoms: 21
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00772

CC(=O)OC1C(O)OC(O)C1O