Glycoside
...
GD032923

Name:
2-[(4,5-dihydroxy-6-{[8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C49H82O18

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]3C(C)(C)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@H]12

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

Sugarmoiety:
CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 0.96
AlogP: 0.24 Num_rotatable_bonds: 10
MolWt: 959.18 Num_heavy_atoms: 67
TPSA: 287.14 NumAromaticRings: 0

Unique Aglycone
AD16277
Formula: C31H52O4

Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.94
AlogP: 5.74 Num_rotatable_bonds: 2
MolWt: 488.75 Num_heavy_atoms: 35
TPSA: 69.92 NumAromaticRings: 0

Sugarmoiety
SD00755

CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O