Glycoside
...
GD036742

Name:
None

Formula:
C40H56O14

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC2=C[C@@H]3C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H]([C@@](C)(O)C(=O)C=CC(C)(C)OC(C)=O)[C@@]5(C)CC(=O)[C@@]34C)C(C)(C)C2=O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.72
AlogP: 2.02 Num_rotatable_bonds: 9
MolWt: 760.87 Num_heavy_atoms: 54
TPSA: 223.42 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD12337
Formula: C32H44O8

Smiles:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.69
AlogP: 4.19 Num_rotatable_bonds: 5
MolWt: 556.7 Num_heavy_atoms: 40
TPSA: 138.2 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O