Glycoside
...
GD035983

Name:
(3-O-Beta-D-Glucopyranosyl(1->6)[Alpha-L-Arabinofuranosy(1->2)]-Beta-D-Glucopyranosyl-21,22-Di-O-Angeloyl-R1-Barringenol

Formula:
C57H90O22

Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)[C@@]2(CO)[C@H](O)[C@@H](O)[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:
OCC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 12 FractionCSP3: 0.86
AlogP: 0.17 Num_rotatable_bonds: 14
MolWt: 1127.33 Num_heavy_atoms: 79
TPSA: 350.74 NumAromaticRings: 0

Unique Aglycone
AD04129
Formula: C40H62O8

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.8
AlogP: 6.06 Num_rotatable_bonds: 5
MolWt: 670.93 Num_heavy_atoms: 48
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD03241

OCC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O