Glycoside
...
GD022571

Name:
CHINENSIOLIDE E

Formula:
C37H42O13

Smiles:
C=C1C(=O)O[C@@H]2[C@H]1CC[C@@](C)(O)[C@@H]1C[C@H](O[C@@H]3O[C@H](COC(=O)Cc4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]3OC(=O)Cc3ccc(O)cc3)C(=C)[C@H]21

Aglycone:
C=C1C(=O)OC2C1CCC(C)(O)C1CC(O)C(=C)C21.COC(=O)Cc1ccc(O)cc1.O=C(O)Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 5 FractionCSP3: 0.49
AlogP: 2.0 Num_rotatable_bonds: 9
MolWt: 694.73 Num_heavy_atoms: 50
TPSA: 198.51 NumAromaticRings: 2

Unique Aglycone
AD02427
Formula: C9H10O3

Smiles:
COC(=O)Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.11 Num_rotatable_bonds: 2
MolWt: 166.18 Num_heavy_atoms: 12
TPSA: 46.53 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
AD15284
Formula: C15H20O4

Smiles:
C=C1C(=O)OC2C1CCC(C)(O)C1CC(O)C(=C)C21
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.67
AlogP: 1.18 Num_rotatable_bonds: 0
MolWt: 264.32 Num_heavy_atoms: 19
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00017

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