Glycoside
...
GD152641

Name:
Agnucastoside C

Formula:
C34H36O15

Smiles:
CC1C(OC(=O)C=Cc2ccc(O)cc2)CC2C(C(=O)O)=COC(OC3OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C3O)C21

Aglycone:
CC1C(OC(=O)C=Cc2ccc(O)cc2)CC2C(C(=O)O)=COC(O)C21.COC(=O)C=Cc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 7 FractionCSP3: 0.38
AlogP: 1.41 Num_rotatable_bonds: 10
MolWt: 684.65 Num_heavy_atoms: 49
TPSA: 238.97 NumAromaticRings: 2

Unique Aglycone
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD44174
Formula: C19H20O7

Smiles:
CC1C(OC(=O)C=Cc2ccc(O)cc2)CC2C(C(=O)O)=COC(O)C21
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.37
AlogP: 1.91 Num_rotatable_bonds: 4
MolWt: 360.36 Num_heavy_atoms: 26
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD00017

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