Glycoside
...
GD015975

Name:
None

Formula:
C47H68O16

Smiles:
CCCCC(=O)OC[C@H](C)[C@]1(O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3OC(=O)c3ccc(OC)cc3)[C@H]2OC(C)=O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C

Aglycone:
CCCCC(=O)OCC(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.COc1ccc(C(=O)O)cc1

Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 5 FractionCSP3: 0.77
AlogP: 3.75 Num_rotatable_bonds: 14
MolWt: 889.04 Num_heavy_atoms: 63
TPSA: 226.2 NumAromaticRings: 1

Unique Aglycone
AD01329
Formula: C8H8O3

Smiles:
COc1ccc(C(=O)O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.39 Num_rotatable_bonds: 2
MolWt: 152.15 Num_heavy_atoms: 11
TPSA: 46.53 NumAromaticRings: 1
AD11553
Formula: C27H44O5

Smiles:
CCCCC(=O)OCC(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.89
AlogP: 4.38 Num_rotatable_bonds: 6
MolWt: 448.64 Num_heavy_atoms: 32
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD00355

CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O