Glycoside
...
GD018368

Name:
2-[(2-{[8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C42H70O14

Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3[C@H](O)C=C3[C@@H]5CC(C)(C)CC[C@@]5(CO)[C@H](O)C[C@]34C)[C@@]2(C)CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 10 FractionCSP3: 0.95
AlogP: 0.73 Num_rotatable_bonds: 7
MolWt: 799.01 Num_heavy_atoms: 56
TPSA: 239.22 NumAromaticRings: 0

Unique Aglycone
AD12971
Formula: C30H50O5

Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 5 FractionCSP3: 0.93
AlogP: 4.06 Num_rotatable_bonds: 2
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD00046

CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O