Glycoside
...
GD032445

Name:
JACAGLABROSIDE C

Formula:
C38H36O15

Smiles:
O=C1C=CC(O)(CC(=O)OC[C@@H]2O[C@H](OC(=O)CC3(O)C=CC(=O)C=C3)[C@H](OC(=O)Cc3ccc(O)cc3)[C@H](OC(=O)Cc3ccccc3)[C@H]2O)C=C1

Aglycone:
COC(=O)CC1(O)C=CC(=O)C=C1.O=C(O)Cc1ccc(O)cc1.O=C(O)Cc1ccccc1.O=C1C=CC(O)(CC(=O)O)C=C1

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 4 FractionCSP3: 0.32
AlogP: 0.81 Num_rotatable_bonds: 13
MolWt: 732.69 Num_heavy_atoms: 53
TPSA: 229.49 NumAromaticRings: 2

Unique Aglycone
AD00909
Formula: C8H8O2

Smiles:
O=C(O)Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 1
AD05358
Formula: C8H8O3

Smiles:
O=C(O)Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.02 Num_rotatable_bonds: 2
MolWt: 152.15 Num_heavy_atoms: 11
TPSA: 57.53 NumAromaticRings: 1
AD08699
Formula: C9H10O4

Smiles:
COC(=O)CC1(O)C=CC(=O)C=C1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.33
AlogP: -0.02 Num_rotatable_bonds: 2
MolWt: 182.17 Num_heavy_atoms: 13
TPSA: 63.6 NumAromaticRings: 0
AD08700
Formula: C8H8O4

Smiles:
O=C1C=CC(O)(CC(=O)O)C=C1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: -0.11 Num_rotatable_bonds: 2
MolWt: 168.15 Num_heavy_atoms: 12
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00017

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