Glycoside
...
GD027121

Name:
2-[(3,5-dihydroxy-2-{[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}-6-methyloxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C43H72O13

Smiles:
CO[C@@H]1C=C2C3CC(C)(C)CC[C@@]3(CO)[C@H](O)C[C@@]2(C)[C@]2(C)CCC3C(C)(C)[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)CC[C@@]3(C)C12

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 8 FractionCSP3: 0.95
AlogP: 2.41 Num_rotatable_bonds: 7
MolWt: 797.04 Num_heavy_atoms: 56
TPSA: 207.99 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
SD00046

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