Glycoside
...
GD022004

Name:
11-O-Methylelaiophylin

Formula:
C55H90O18

Smiles:
CC[C@@H]1[C@H](C)O[C@](OC)([C@@H](C)[C@@H](O)[C@@H](C)[C@@H]2OC(=O)C=CC=C[C@@H](C)[C@H]([C@@H](C)[C@@H](O)[C@@H](C)[C@]3(O)C[C@@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@H](C)O3)OC(=O)C=CC=C[C@@H]2C)C[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](C)O1

Aglycone:
CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(OC)CC(O)C(CC)C(C)O3)OC(=O)C=CC=CC2C)OC1C

Sugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 7 FractionCSP3: 0.82
AlogP: 4.77 Num_rotatable_bonds: 15
MolWt: 1039.31 Num_heavy_atoms: 73
TPSA: 258.82 NumAromaticRings: 0

Unique Aglycone
AD02671
Formula: C43H70O12

Smiles:
CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(OC)CC(O)C(CC)C(C)O3)OC(=O)C=CC=CC2C)OC1C
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.77
AlogP: 5.01 Num_rotatable_bonds: 11
MolWt: 779.02 Num_heavy_atoms: 55
TPSA: 181.44 NumAromaticRings: 0

Sugarmoiety
SD00486

CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O