Glycoside
...
GD007458

Name:
None

Formula:
C50H76O11

Smiles:
C=CCO[C@H]1[C@H](OC(=O)c2ccc(OC)cc2)[C@@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@]2(O)[C@H](C)C(=O)OCCCCCCCCCCCC)OC[C@H]1O

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

Sugarmoiety:
C=CCOC1C(O)COC(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 3 FractionCSP3: 0.76
AlogP: 8.66 Num_rotatable_bonds: 21
MolWt: 853.15 Num_heavy_atoms: 61
TPSA: 150.21 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
AD03236
Formula: C34H58O5

Smiles:
CCCCCCCCCCCCOC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.91
AlogP: 7.11 Num_rotatable_bonds: 13
MolWt: 546.83 Num_heavy_atoms: 39
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD01253

C=CCOC1C(O)COC(O)C1O