Glycoside
...
GD033325

Name:
2-[(5-hydroxy-2-{[1-(2-hydroxy-6-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C52H88O20

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

Aglycone:
CC(C)=CCCC(O)(CO)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.96
AlogP: 0.1 Num_rotatable_bonds: 14
MolWt: 1033.26 Num_heavy_atoms: 72
TPSA: 316.6 NumAromaticRings: 0

Unique Aglycone
AD11862
Formula: C30H52O3

Smiles:
CC(C)=CCCC(O)(CO)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 6.5 Num_rotatable_bonds: 5
MolWt: 460.74 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD03104

CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O