Glycoside
...
GD020569

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

Formula:
C46H78O15

Smiles:
CC(C)=CCC[C@](O)(CO)[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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 9 FractionCSP3: 0.96
AlogP: 2.28 Num_rotatable_bonds: 11
MolWt: 871.12 Num_heavy_atoms: 61
TPSA: 237.45 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
SD01388

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