Glycoside
...
GD026025

Name:
None

Formula:
C43H66O15

Smiles:
CC(=O)O[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3C[C@H](O)[C@]3(C)C(C5=CC(=O)OC5)CC[C@@]43O)C2)O[C@H](C)[C@H]1O[C@@H]1C[C@H](O)[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](C)O1

Aglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 5 FractionCSP3: 0.91
AlogP: 2.79 Num_rotatable_bonds: 8
MolWt: 822.99 Num_heavy_atoms: 58
TPSA: 209.13 NumAromaticRings: 0

Unique Aglycone
AD02796
Formula: C23H34O5

Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 390.52 Num_heavy_atoms: 28
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD02691

CC(=O)OC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1