Glycoside
...
GD008781

Name:
CUMINDYSODIDE A

Formula:
C37H56O10

Smiles:
C=C(C=O)[C@H](C)[C@@H]1CC[C@@]23C[C@@]12CC[C@@H]1[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]2C[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@]13C

Aglycone:
C=C(C=O)C(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(O)C13C.COC(C)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 3 FractionCSP3: 0.86
AlogP: 4.11 Num_rotatable_bonds: 8
MolWt: 660.85 Num_heavy_atoms: 47
TPSA: 148.82 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
AD06967
Formula: C29H44O4

Smiles:
C=C(C=O)C(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(O)C13C
HBA: 4 RingCount: 5
HBD: 1 FractionCSP3: 0.86
AlogP: 5.72 Num_rotatable_bonds: 4
MolWt: 456.67 Num_heavy_atoms: 33
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O