Glycoside
...
GD017209

Name:
{6-[(3,5-dihydroxy-2-{[8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-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}-6-methyloxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

Formula:
C45H74O15

Smiles:
CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@@]3(CO)[C@H](O)C[C@@]2(C)[C@]2(C)CC[C@@H]3[C@](C)(CC[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@]3(C)CO)[C@H]12

Aglycone:
COC(C)=O.COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.93
AlogP: 1.96 Num_rotatable_bonds: 9
MolWt: 855.07 Num_heavy_atoms: 60
TPSA: 234.29 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
AD01512
Formula: C31H52O5

Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.94
AlogP: 4.71 Num_rotatable_bonds: 3
MolWt: 504.75 Num_heavy_atoms: 36
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD01607

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