Glycoside
...
GD025177

Name:
GALLOMYRTUCOMMULONE B

Formula:
C27H38O13

Smiles:
CC(C)CC1(O)C(=O)C(C)(C)C(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)C1=O

Aglycone:
CC(C)CC1(O)C(=O)C(C)(C)C(O)C(C)(C)C1=O.COC(=O)c1cc(O)c(O)c(O)c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.67
AlogP: 0.13 Num_rotatable_bonds: 7
MolWt: 570.59 Num_heavy_atoms: 40
TPSA: 220.51 NumAromaticRings: 1

Unique Aglycone
AD00121
Formula: C8H8O5

Smiles:
COC(=O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 0.59 Num_rotatable_bonds: 1
MolWt: 184.15 Num_heavy_atoms: 13
TPSA: 86.99 NumAromaticRings: 1
AD16725
Formula: C14H24O4

Smiles:
CC(C)CC1(O)C(=O)C(C)(C)C(O)C(C)(C)C1=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.86
AlogP: 1.33 Num_rotatable_bonds: 2
MolWt: 256.34 Num_heavy_atoms: 18
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00017

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