Glycoside
...
GD116201

Name:
Prunin 3''-P-Coumarate

Formula:
C30H28O12

Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(O)C(CO)OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CC3=O)C1O

Aglycone:
O=C(O)C=Cc1ccc(O)cc1.O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.27
AlogP: 1.95 Num_rotatable_bonds: 7
MolWt: 580.54 Num_heavy_atoms: 42
TPSA: 192.44 NumAromaticRings: 3

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD03294
Formula: C15H12O5

Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.13
AlogP: 2.51 Num_rotatable_bonds: 1
MolWt: 272.26 Num_heavy_atoms: 20
TPSA: 86.99 NumAromaticRings: 2

Sugarmoiety
SD00003

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