Glycoside
...
GD003578

Name:
None

Formula:
C51H78O13

Smiles:
CCCCCCCCCCCCOC(=O)[C@H](C)[C@]1(O)[C@H](O[C@@H]2OC[C@H](O)[C@H](OCCOC(=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:
CCCCCCCCCCCCOC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.COc1ccc(C(=O)OCCO)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 3 FractionCSP3: 0.78
AlogP: 8.04 Num_rotatable_bonds: 22
MolWt: 899.17 Num_heavy_atoms: 64
TPSA: 176.51 NumAromaticRings: 1

Unique Aglycone
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
AD03237
Formula: C10H12O4

Smiles:
COc1ccc(C(=O)OCCO)cc1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 0.84 Num_rotatable_bonds: 4
MolWt: 196.2 Num_heavy_atoms: 14
TPSA: 55.76 NumAromaticRings: 1

Sugarmoiety
SD00514

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