Glycoside
...
GD019879

Name:
None

Formula:
C40H64O11

Smiles:
C=C(C)[C@H](O)[C@H](O)C[C@H](C)C1CC[C@]2(C)C1=CC[C@@H]1[C@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]3C[C@H](OC3OC(COC(C)=O)C(O)C(O)C3O)[C@]12C

Aglycone:
C=C(C)C(O)C(O)CC(C)C1CCC2(C)C1=CCC1C3(C)CCC(OC(C)=O)C(C)(C)C3CC(O)C12C.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 5 FractionCSP3: 0.85
AlogP: 4.21 Num_rotatable_bonds: 10
MolWt: 720.94 Num_heavy_atoms: 51
TPSA: 172.21 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
AD13807
Formula: C32H52O5

Smiles:
C=C(C)C(O)C(O)CC(C)C1CCC2(C)C1=CCC1C3(C)CCC(OC(C)=O)C(C)(C)C3CC(O)C12C
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.84
AlogP: 5.82 Num_rotatable_bonds: 6
MolWt: 516.76 Num_heavy_atoms: 37
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD00017

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