Glycoside
...
GD142309

Name:
Phyllanemblinin D

Formula:
C27H26O20

Smiles:
O=C(O)CC(C(=O)OC1C(O)C(CO)OC(OC(=O)c2cc(O)c(O)c(O)c2)C1O)C1c2c(cc(O)c(O)c2O)C(=O)OC1C(=O)O

Aglycone:
O=C(O)CC(C(=O)O)C1c2c(cc(O)c(O)c2O)C(=O)OC1C(=O)O.O=C(O)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 11 FractionCSP3: 0.37
AlogP: -2.07 Num_rotatable_bonds: 9
MolWt: 670.49 Num_heavy_atoms: 47
TPSA: 344.8 NumAromaticRings: 2

Unique Aglycone
AD00518
Formula: C7H6O5

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 170.12 Num_heavy_atoms: 12
TPSA: 97.99 NumAromaticRings: 1
AD57273
Formula: C14H12O11

Smiles:
O=C(O)CC(C(=O)O)C1c2c(cc(O)c(O)c2O)C(=O)OC1C(=O)O
HBA: 11 RingCount: 2
HBD: 6 FractionCSP3: 0.29
AlogP: -0.31 Num_rotatable_bonds: 5
MolWt: 356.24 Num_heavy_atoms: 25
TPSA: 198.89 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O