Glycoside
...
GD133813

Name:
Methyl (4Ar,5R,6As,6Br,8Ar,9R,10R,12As,12Br,13R,14Bs)-10-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-{[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxy}Oxan-2-Yl]Oxy}-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy}-5-Hydroxy-9-(Hydroxymethyl)-13-Methoxy-2,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-Tetradecahydropicene-4A-Carboxylate

Formula:
C49H80O19

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CC(OC)C3C4(C)CCC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C1(C)CC2O

Aglycone:
COC(=O)C12CCC(C)(C)CC1C1=CC(OC)C3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2O

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.94
AlogP: 0.03 Num_rotatable_bonds: 10
MolWt: 973.16 Num_heavy_atoms: 68
TPSA: 293.21 NumAromaticRings: 0

Unique Aglycone
AD54143
Formula: C32H52O6

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CC(OC)C3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2O
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.91
AlogP: 4.89 Num_rotatable_bonds: 3
MolWt: 532.76 Num_heavy_atoms: 38
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD07708

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O