Glycoside
...
GD035387

Name:
2-{[2-({1-[4-(3,3-dimethyloxiran-2-yl)-4-methoxybut-2-en-2-yl]-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C43H72O14

Smiles:
COC(C=C(C)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@]12C)C1OC1(C)C

Aglycone:
COC(C=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)C1OC1(C)C

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 8 FractionCSP3: 0.95
AlogP: 1.79 Num_rotatable_bonds: 10
MolWt: 813.04 Num_heavy_atoms: 57
TPSA: 220.52 NumAromaticRings: 0

Unique Aglycone
AD22390
Formula: C31H52O4

Smiles:
COC(C=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)C1OC1(C)C
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.94
AlogP: 6.14 Num_rotatable_bonds: 4
MolWt: 488.75 Num_heavy_atoms: 35
TPSA: 62.22 NumAromaticRings: 0

Sugarmoiety
SD00114

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O