Glycoside
...
GD036119

Name:
None

Formula:
C43H62O12

Smiles:
CC1(C)C[C@H](OC(=O)c2ccccc2)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:
CC1(C)CC(OC(=O)c2ccccc2)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 7 FractionCSP3: 0.77
AlogP: 3.84 Num_rotatable_bonds: 7
MolWt: 770.96 Num_heavy_atoms: 55
TPSA: 203.44 NumAromaticRings: 1

Unique Aglycone
AD22810
Formula: C37H54O6

Smiles:
CC1(C)CC(OC(=O)c2ccccc2)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 6 RingCount: 6
HBD: 4 FractionCSP3: 0.76
AlogP: 5.92 Num_rotatable_bonds: 4
MolWt: 594.83 Num_heavy_atoms: 43
TPSA: 107.22 NumAromaticRings: 1

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O