Glycoside
...
GD026857

Name:
None

Formula:
C51H84O20

Smiles:
CC1CC[C@]2(OC1)OC1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OCC6OC(CO)C(OCOCC7OC(CO)C(COCC8OC(CO)C(CO)C(O)C8O)C(O)C7O)C(O)C6O)CC[C@@]5(C)[C@H]4C(=O)C[C@@]3(C)C1[C@H]2C

Aglycone:
COC1CCC2(C)C(CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CC(=O)C32)C1.OCOCC1OC(CO)C(COCC2OC(CO)C(CO)C(O)C2O)C(O)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 10 FractionCSP3: 0.98
AlogP: -0.96 Num_rotatable_bonds: 16
MolWt: 1017.21 Num_heavy_atoms: 71
TPSA: 302.44 NumAromaticRings: 0

Unique Aglycone
AD17682
Formula: C28H44O4

Smiles:
COC1CCC2(C)C(CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CC(=O)C32)C1
HBA: 4 RingCount: 6
HBD: 0 FractionCSP3: 0.96
AlogP: 5.63 Num_rotatable_bonds: 1
MolWt: 444.66 Num_heavy_atoms: 32
TPSA: 44.76 NumAromaticRings: 0
AD17683
Formula: C17H32O12

Smiles:
OCOCC1OC(CO)C(COCC2OC(CO)C(CO)C(O)C2O)C(O)C1O
HBA: 12 RingCount: 2
HBD: 8 FractionCSP3: 1.0
AlogP: -4.84 Num_rotatable_bonds: 10
MolWt: 428.43 Num_heavy_atoms: 29
TPSA: 198.76 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O