Glycoside
...
GD026720

Name:
None

Formula:
C43H62O14

Smiles:
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(CC(=O)c6cc(O)c(O)c(O)c6)[C@H]5CC[C@]43C)[C@H]2[C@H]1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CC(=O)c6cc(O)c(O)c(O)c6)C5CCC43C)C2C1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 10 FractionCSP3: 0.77
AlogP: 2.8 Num_rotatable_bonds: 6
MolWt: 802.96 Num_heavy_atoms: 57
TPSA: 254.9 NumAromaticRings: 1

Unique Aglycone
AD17597
Formula: C37H52O9

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CC(=O)c6cc(O)c(O)c(O)c6)C5CCC43C)C2C1O
HBA: 9 RingCount: 6
HBD: 7 FractionCSP3: 0.73
AlogP: 5.55 Num_rotatable_bonds: 4
MolWt: 640.81 Num_heavy_atoms: 46
TPSA: 175.75 NumAromaticRings: 1

Sugarmoiety
SD00003

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