Glycoside
...
GD016497

Name:
Cumingianoside C

Formula:
C41H68O12

Smiles:
COC(C)(C)[C@H](O)[C@H](O)CC(C)[C@@H]1CC[C@@]23C[C@@]12CCC1[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)C2C[C@H](OC2OC(COC(C)=O)C(O)C(O)C2O)[C@]13C

Aglycone:
COC(C)(C)C(O)C(O)CC(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(O)C13C.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 5 FractionCSP3: 0.95
AlogP: 3.9 Num_rotatable_bonds: 11
MolWt: 752.98 Num_heavy_atoms: 53
TPSA: 181.44 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
AD11865
Formula: C33H56O6

Smiles:
COC(C)(C)C(O)C(O)CC(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(O)C13C
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.97
AlogP: 5.5 Num_rotatable_bonds: 7
MolWt: 548.81 Num_heavy_atoms: 39
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD00017

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