Glycoside
...
GD009441

Name:
ORIZABIN X

Formula:
C54H90O23

Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@@H]3O[C@@H]4[C@H](O[C@H](COC(=O)C(C)C)[C@H](O)[C@H]4O)O[C@H]4[C@@H](O[C@@H](C)[C@@H](O)[C@H]4O)O[C@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3OC(=O)[C@H](C)[C@H](C)O)[C@H](O)[C@H]1O

Aglycone:
CC=C(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(COC(=O)C(C)C)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)C(C)O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 5
HBD: 7 FractionCSP3: 0.89
AlogP: 2.67 Num_rotatable_bonds: 14
MolWt: 1107.29 Num_heavy_atoms: 77
TPSA: 320.65 NumAromaticRings: 0

Unique Aglycone
AD00342
Formula: C5H8O2

Smiles:
CC=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD07400
Formula: C43H74O18

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(COC(=O)C(C)C)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)C(C)O
HBA: 18 RingCount: 4
HBD: 6 FractionCSP3: 0.93
AlogP: 2.31 Num_rotatable_bonds: 10
MolWt: 879.05 Num_heavy_atoms: 61
TPSA: 255.66 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O